PURA_SHIDS Loading...

Adenylosuccinate synthetase

Plays an important role in the de novo pathway of purine nucleotide biosynthesis. Catalyzes the first committed step in the biosynthesis of AMP from IMP.

AlphaFold DB , UniProt , Accession Q328F6, Species SHIDS (Shigella dysenteriae serotype 1 (strain Sd197)), Gene purA, Length 432 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.3Confident93.1Very high178 Ų17822.8 Ų22.888%0.87713%0.129SC*.  0119.10-135.9160.7-178.200104.3R213 G216M1-R213 WeakPolarHBondContact CE-O 3.49Å; M1-G216 VanDerWaalsContact CE-CA 3.4Å
2G83.5Confident93.2Very high31 Ų3121.3 Ų21.332%0.3212%0.12SC..  trans-84.7-177.7179.400000111.1F430G2-F430 CarbonylContact C-O 3.56Å; G2-F430 WeakPolarHBondContact CA-O 3.24Å
3N89.8Confident93Very high32 Ų3220.1 Ų20.117%0.17112%0.115CC..  trans-89.4146.4-165.1-63.1-34.8000112.9D261 P429 F430 A432N3-D261 HydrophobicContact CB-CB 3.64Å; N3-P429 PolarHBondContact ND2-O 3Å; N3-F430 PolarHBondContact N-O 2.89Å; N3-F430 WeakPolarHBondContact O-CD1 3.43Å; N3-A432 PolarHBondContact ND2-O 3.34Å
4N96.1Very high92.5Very high6 Ų622 Ų223%0.03213%0.125CC..  trans-68.4137153.2-65.5-39.7000109.7V219 F221 Y259 D261 Y262N4-V219 WeakPolarHBondContact CA-O 3.23Å; N4-V219 WeakPolarHBondContact OD1-CB 3.43Å; N4-V219 PolarHBondContact OD1-N 3.3Å; N4-F221 HydrophobicContact CB-CE2 4.26Å; N4-Y259 WeakPolarHBondContact CB-O 3.47Å; N4-Y259 PolarHBondContact ND2-O 3.15Å; N4-D261 WeakPolarHBondContact CB-OD2 3.38Å; N4-D261 PolarHBondContact N-OD2 3.45Å; N4-D261 PolarHBondContact ND2-OD2 3.1Å; N4-Y262 PolarHBondContact O-N 3.37Å
5V97.8Very high92.5Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-115.6120.8-174.6-178.70000110.2V7 V219 M220 F221 Y262 L264 P429 F430V5-V7 HydrophobicContact CG1-CG2 4.11Å; V5-V219 PolarHBondContact N-O 3.04Å; V5-M220 CarbonylContact O-C 3.42Å; V5-M220 VanDerWaalsContact O-CA 3.26Å; V5-M220 WeakPolarHBondContact O-CA 3.35Å; V5-F221 PolarHBondContact O-N 3.37Å; V5-Y262 WeakPolarHBondContact CA-O 3.48Å; V5-Y262 HydrophobicContact CG1-CD1 4.4Å; V5-L264 HydrophobicContact CG1-CB 4.35Å; V5-P429 HydrophobicContact CB-CB 4.48Å; V5-P429 HydrophobicContact CG1-CB 3.84Å; V5-P429 HydrophobicContact CG2-CB 3.74Å; V5-F430 HydrophobicContact CB-CE1 4.11Å; V5-F430 HydrophobicContact CB-CZ 4.21Å; V5-F430 HydrophobicContact CG2-CD1 3.6Å; V5-F430 HydrophobicContact CG2-CD2 4.26Å; V5-F430 HydrophobicContact CG2-CE1 3.57Å; V5-F430 HydrophobicContact CG2-CE2 4.26Å; V5-F430 HydrophobicContact CG2-CG 3.95Å; V5-F430 HydrophobicContact CG2-CZ 3.92Å
6V98.1Very high92.2Very high0 Ų021.1 Ų21.10%013%0.128CC..EExtended strand (participates in β ladder)trans-95.8125.4170.3-176.40000109.1L8 Y34 F221 A246 V249 V260 Y262 V263 L264V6-L8 HydrophobicContact CG1-CD2 4.12Å; V6-Y34 HydrophobicContact CG1-CE1 4.49Å; V6-F221 HydrophobicContact CB-CB 4.41Å; V6-F221 HydrophobicContact CG1-CB 4.29Å; V6-F221 HydrophobicContact CG2-CB 4.1Å; V6-F221 HydrophobicContact CG2-CD2 4.09Å; V6-F221 HydrophobicContact CG2-CG 4.39Å; V6-A246 HydrophobicContact CG1-CB 4.29Å; V6-V249 HydrophobicContact CB-CG2 4.43Å; V6-V249 HydrophobicContact CG1-CG2 3.69Å; V6-V249 HydrophobicContact CG2-CG2 3.82Å; V6-V260 HydrophobicContact CG2-CG1 3.71Å; V6-Y262 PolarHBondContact N-O 3.38Å; V6-V263 HydrophobicContact CB-CG1 4.29Å; V6-V263 HydrophobicContact CB-CG2 4.44Å; V6-V263 HydrophobicContact CG1-CG1 4.49Å; V6-L264 PolarHBondContact O-N 2.87Å
7V97.6Very high92Very high0 Ų020.5 Ų20.50%012%0.124CC..EExtended strand (participates in β ladder)trans-109.8118.4176.4-178.30000109V5 V21 L24 M220 F221 G223 L264 I266V5-V7 HydrophobicContact CG1-CG2 4.11Å; V7-V21 HydrophobicContact CB-CG2 4.1Å; V7-V21 HydrophobicContact CG1-CG2 3.83Å; V7-V21 HydrophobicContact CG2-CG2 4.42Å; V7-L24 HydrophobicContact CG2-CD1 4.23Å; V7-M220 HydrophobicContact CG2-CG 4.11Å; V7-M220 HydrophobicContact CG2-SD 3.71Å; V7-F221 PolarHBondContact N-O 3.07Å; V7-G223 WeakPolarHBondContact O-CA 3.49Å; V7-G223 PolarHBondContact O-N 3.07Å; V7-L264 HydrophobicContact CG2-CD2 4.32Å; V7-I266 HydrophobicContact CG1-CD1 3.69Å; V7-I266 HydrophobicContact CG1-CG1 3.51Å
8L97.5Very high91.6Very high0 Ų019.6 Ų19.60%012%0.119CC..EExtended strand (participates in β ladder)trans-141.9159.8-177.664.783.6000113.3V6 T10 A246 V263 L264 I266 N323 L325V6-L8 HydrophobicContact CG1-CD2 4.12Å; L8-T10 HydrophobicContact CD1-CG2 4.48Å; L8-A246 HydrophobicContact CD2-CB 3.66Å; L8-V263 HydrophobicContact CD2-CG1 3.73Å; L8-V263 HydrophobicContact CG-CG1 4.34Å; L8-L264 PolarHBondContact N-O 3.36Å; L8-I266 WeakPolarHBondContact O-CB 3.3Å; L8-I266 PolarHBondContact O-N 3.45Å; L8-N323 HydrophobicContact CD2-CB 4.2Å; L8-N323 VanDerWaalsContact CD2-OD1 3.28Å; L8-N323 WeakPolarHBondContact CD2-OD1 3.24Å; L8-L325 HydrophobicContact CD1-CD2 4.28Å
9G97.4Very high91.3Very high1 Ų119.8 Ų19.81%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-81.5133.4177.200000110.7E15 G226 T227G9-E15 VanDerWaalsContact CA-CD 3.46Å; G9-E15 VanDerWaalsContact CA-OE1 3.3Å; G9-E15 WeakPolarHBondContact CA-OE1 3.45Å; G9-G226 CarbonylContact O-C 3.5Å; G9-G226 WeakPolarHBondContact O-CA 2.83Å; G9-T227 PolarHBondContact O-N 2.85Å; G9-T227 PolarHBondContact O-OG1 2.83Å
10T98.1Very high91.2Very high0 Ų018.8 Ų18.80%011%0.112CC..SBendtrans-91.4-9.8-178.758.40000113.1L8 G265 I266 L267 A319 L325 F328L8-T10 HydrophobicContact CD1-CG2 4.48Å; T10-G265 VanDerWaalsContact CG2-CA 3.41Å; T10-I266 WeakPolarHBondContact CG2-O 3.46Å; T10-I266 PolarHBondContact N-O 3.38Å; T10-I266 PolarHBondContact OG1-O 3.2Å; T10-L267 WeakPolarHBondContact OG1-CA 3.41Å; T10-L267 WeakPolarHBondContact OG1-CD1 3.49Å; T10-A319 WeakPolarHBondContact O-CB 3.4Å; T10-L325 HydrophobicContact CG2-CD1 3.78Å; T10-F328 HydrophobicContact CG2-CD1 4.22Å; T10-F328 HydrophobicContact CG2-CE1 3.9Å
11Q97Very high91Very high3 Ų317.9 Ų17.91%0.01411%0.107CC..SBendtrans-118.6-135.7-173.1-62.9165.5-6700109.8E15 G226 T227 L228 L267 Y270 S271 V316Q11-E15 HydrophobicContact CB-CG 4.15Å; Q11-E15 PolarHBondContact N-OE1 2.75Å; Q11-E15 VanDerWaalsContact N-OE1 3.14Å; Q11-G226 CarbonylContact O-C 3.58Å; Q11-G226 WeakPolarHBondContact O-CA 3.24Å; Q11-T227 PolarHBondContact O-N 3.1Å; Q11-L228 WeakPolarHBondContact O-CB 3.49Å; Q11-L228 PolarHBondContact O-N 2.8Å; Q11-L267 HydrophobicContact CG-CD1 4.17Å; Q11-Y270 PolarHBondContact NE2-O 3.3Å; Q11-S271 PolarHBondContact NE2-OG 3.13Å; Q11-V316 HydrophobicContact CG-CG2 4.44Å
12W94.6Very high91.6Very high5 Ų59.6 Ų9.62%0.0197%0.066CC..BIsolated β-bridgetrans-102.232-179.7-57.3-86.9000113L228 L229 R273 F279 D312 A315W12-L228 VanDerWaalsContact CD1-CB 3.48Å; W12-L228 HydrophobicContact CD2-CB 4.27Å; W12-L228 HydrophobicContact CD2-CD1 3.93Å; W12-L228 VanDerWaalsContact CE2-CD1 3.5Å; W12-L228 HydrophobicContact CE3-CD1 4.3Å; W12-L228 HydrophobicContact CG-CB 4.06Å; W12-L228 HydrophobicContact CH2-CD1 3.92Å; W12-L228 HydrophobicContact CZ2-CD1 3.52Å; W12-L228 HydrophobicContact CZ3-CD1 4.27Å; W12-L228 VanDerWaalsContact NE1-CB 3.35Å; W12-L229 HydrophobicContact CB-CD2 4.3Å; W12-L229 HydrophobicContact CB-CG 4.23Å; W12-L229 VanDerWaalsContact O-CD1 3.22Å; W12-L229 WeakPolarHBondContact O-CD1 3.39Å; W12-R273 HydrophobicContact CB-CB 4.4Å; W12-R273 HydrophobicContact CB-CG 4.18Å; W12-R273 VanDerWaalsContact CD1-NH1 3.29Å; W12-R273 HydrophobicContact CG-CG 4.25Å; W12-F279 HydrophobicContact CE3-CD2 4.45Å; W12-F279 HydrophobicContact CE3-CE2 4.26Å; W12-F279 AromaticContact CH2-CD2 3.9Å; W12-F279 HydrophobicContact CH2-CD2 3.9Å; W12-F279 HydrophobicContact CH2-CE2 4.09Å; W12-F279 HydrophobicContact CZ2-CD2 4.49Å; W12-F279 AromaticContact CZ3-CD2 3.89Å; W12-F279 HydrophobicContact CZ3-CD2 3.89Å; W12-F279 AromaticContact CZ3-CE2 3.67Å; W12-F279 HydrophobicContact CZ3-CE2 3.67Å; W12-D312 HydrophobicContact CH2-CB 4.47Å; W12-A315 HydrophobicContact CH2-CB 4.24Å
13G90.8Very high91.9Very high5 Ų59.3 Ų9.35%0.0526%0.057CC..SBendtrans88.8175.5-176.700000113.5E15G13-E15 VanDerWaalsContact C-N 3.27Å; G13-E15 VanDerWaalsContact CA-CD 3.41Å; G13-E15 VanDerWaalsContact CA-OE1 3.27Å; G13-E15 WeakPolarHBondContact CA-OE1 3.45Å; G13-E15 WeakPolarHBondContact CA-OE2 3.29Å; G13-E15 PolarHBondContact N-OE1 2.65Å; G13-E15 PolarHBondContact O-N 3.49Å
14D86Confident91.9Very high47 Ų478.1 Ų8.125%0.2515%0.05SC..  trans57.931.9178.7-59.9-46.1000115.6G16 K268 V274 R306D14-G16 PolarHBondContact O-N 3.44Å; D14-K268 PolarHBondContact O-NZ 3.08Å; D14-K268 VanDerWaalsContact O-NZ 3.15Å; D14-V274 VanDerWaalsContact OD2-CG2 3.26Å; D14-V274 WeakPolarHBondContact OD2-CG2 3.42Å; D14-R306 VanDerWaalsContact CG-NE 3.3Å; D14-R306 IonicContact OD1-CZ 3.83Å; D14-R306 IonicContact OD1-NH2 2.72Å; D14-R306 PolarHBondContact OD1-NH2 2.89Å; D14-R306 IonicContact OD2-CZ 3.68Å; D14-R306 IonicContact OD2-NE 3.71Å; D14-R306 PolarHBondContact OD2-NE 3.49Å; D14-R306 IonicContact OD2-NH2 3.1Å; D14-R306 PolarHBondContact OD2-NH2 2.69Å
15E92.6Very high91.6Very high0 Ų07.9 Ų7.90%05%0.049CC..SBendtrans-81.44.2179-49.389.4160.100113.1G9 Q11 G13 K17 I266 K268 T331G9-E15 VanDerWaalsContact CA-CD 3.46Å; G9-E15 VanDerWaalsContact CA-OE1 3.3Å; G9-E15 WeakPolarHBondContact CA-OE1 3.45Å; Q11-E15 HydrophobicContact CB-CG 4.15Å; Q11-E15 PolarHBondContact N-OE1 2.75Å; Q11-E15 VanDerWaalsContact N-OE1 3.14Å; G13-E15 VanDerWaalsContact C-N 3.27Å; G13-E15 VanDerWaalsContact CA-CD 3.41Å; G13-E15 VanDerWaalsContact CA-OE1 3.27Å; G13-E15 WeakPolarHBondContact CA-OE1 3.45Å; G13-E15 WeakPolarHBondContact CA-OE2 3.29Å; G13-E15 PolarHBondContact N-OE1 2.65Å; G13-E15 PolarHBondContact O-N 3.49Å; E15-K17 IonicContact OE2-NZ 3.71Å; E15-K17 PolarHBondContact OE2-NZ 3.12Å; E15-I266 HydrophobicContact CB-CB 4.26Å; E15-I266 HydrophobicContact CB-CG2 3.75Å; E15-I266 WeakPolarHBondContact O-CG2 3.15Å; E15-K268 HydrophobicContact CB-CB 4.48Å; E15-T331 WeakPolarHBondContact O-CB 3.25Å; E15-T331 WeakPolarHBondContact O-CG2 3.43Å; E15-T331 PolarHBondContact O-OG1 3.21Å
16G87.1Confident91.1Very high30 Ų3013.2 Ų13.231%0.3097%0.074SC..  trans8525.4-179.700000115D14 G18 K19D14-G16 PolarHBondContact O-N 3.44Å; G16-G18 VanDerWaalsContact C-N 3.35Å; G16-G18 PolarHBondContact O-N 3Å; G16-K19 PolarHBondContact O-N 3.42Å
17K88.5Confident90.7Very high11 Ų1117.4 Ų17.45%0.0489%0.09CC..Hα-helixtrans-52.1-45.7-178.4-66.8-176.9-70.3-70.40114.2E15 K19 I20 V21 G223 Q225 I266E15-K17 IonicContact OE2-NZ 3.71Å; E15-K17 PolarHBondContact OE2-NZ 3.12Å; K17-K19 VanDerWaalsContact C-N 3.33Å; K17-K19 PolarHBondContact O-N 3.43Å; K17-I20 PolarHBondContact O-N 3.08Å; K17-V21 WeakPolarHBondContact O-CG2 3.16Å; K17-V21 PolarHBondContact O-N 3.46Å; K17-G223 VanDerWaalsContact CD-O 3.26Å; K17-G223 WeakPolarHBondContact CD-O 3.25Å; K17-G223 WeakPolarHBondContact CE-O 3.44Å; K17-Q225 WeakPolarHBondContact CE-O 3.47Å; K17-Q225 PolarHBondContact NZ-O 2.99Å; K17-I266 HydrophobicContact CG-CB 3.98Å; K17-I266 HydrophobicContact CG-CG1 3.84Å; K17-I266 HydrophobicContact CG-CG2 4.24Å
18G84.2Confident90.6Very high3 Ų317.7 Ų17.73%0.0319%0.092CC..Hα-helixtrans-52.1-49.7-174.300000112.7G16 I20 V21 D22 L44G16-G18 VanDerWaalsContact C-N 3.35Å; G16-G18 PolarHBondContact O-N 3Å; G18-I20 VanDerWaalsContact C-N 3.29Å; G18-I20 PolarHBondContact O-N 3.33Å; G18-V21 PolarHBondContact O-N 3.37Å; G18-D22 PolarHBondContact O-N 3.43Å; G18-L44 WeakPolarHBondContact O-CD2 3.23Å
19K86.5Confident90.5Very high24 Ų2421.6 Ų21.610%0.10411%0.109CC..Hα-helixtrans-53.4-45.8176.8176.7-173.3165.9176.10112.2G16 K17 D22 L23 S415 G417 D419 E422 T423G16-K19 PolarHBondContact O-N 3.42Å; K17-K19 VanDerWaalsContact C-N 3.33Å; K17-K19 PolarHBondContact O-N 3.43Å; K19-D22 PolarHBondContact O-N 2.78Å; K19-L23 WeakPolarHBondContact O-CB 3.43Å; K19-L23 PolarHBondContact O-N 3.47Å; K19-S415 PolarHBondContact NZ-OG 3.31Å; K19-G417 PolarHBondContact NZ-O 3.19Å; K19-D419 WeakPolarHBondContact CE-O 3.46Å; K19-D419 PolarHBondContact NZ-O 2.98Å; K19-E422 PolarHBondContact NZ-O 3.27Å; K19-T423 WeakPolarHBondContact CE-OG1 3.31Å; K19-T423 PolarHBondContact NZ-OG1 3.06Å; K19-T423 VanDerWaalsContact NZ-OG1 3.07Å
20I90.1Very high90.6Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-72.8-38.5-176.1-53.7-53.9000111K17 G18 L23 L24 L264 I266 C329 T331 I413 T423K17-I20 PolarHBondContact O-N 3.08Å; G18-I20 VanDerWaalsContact C-N 3.29Å; G18-I20 PolarHBondContact O-N 3.33Å; I20-L23 PolarHBondContact O-N 3.18Å; I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.34Å; I20-L24 WeakPolarHBondContact O-CB 3.28Å; I20-L24 VanDerWaalsContact O-CG 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.45Å; I20-L24 PolarHBondContact O-N 2.98Å; I20-L264 HydrophobicContact CG2-CD2 3.97Å; I20-I266 HydrophobicContact CB-CD1 4.05Å; I20-I266 HydrophobicContact CG1-CD1 4.15Å; I20-I266 HydrophobicContact CG2-CD1 3.82Å; I20-C329 WeakPolarHBondContact CD1-SG 3.4Å; I20-C329 HydrophobicContact CG1-CB 4.47Å; I20-C329 VanDerWaalsContact CG1-SG 3.57Å; I20-C329 HydrophobicContact CG2-CB 4.39Å; I20-T331 HydrophobicContact CD1-CG2 4.48Å; I20-T331 HydrophobicContact CG1-CG2 4.29Å; I20-I413 HydrophobicContact CG2-CD1 4.48Å; I20-T423 HydrophobicContact CD1-CG2 4.29Å
21V85.6Confident90.5Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-60.8-49.9172.9179.30000109.8V7 K17 G18 L23 L24 T25 V31 M220 E222V7-V21 HydrophobicContact CB-CG2 4.1Å; V7-V21 HydrophobicContact CG1-CG2 3.83Å; V7-V21 HydrophobicContact CG2-CG2 4.42Å; K17-V21 WeakPolarHBondContact O-CG2 3.16Å; K17-V21 PolarHBondContact O-N 3.46Å; G18-V21 PolarHBondContact O-N 3.37Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 2.92Å; V21-L24 PolarHBondContact O-N 3.1Å; V21-T25 HydrophobicContact CG1-CG2 4.1Å; V21-T25 WeakPolarHBondContact O-CG2 3.25Å; V21-T25 PolarHBondContact O-N 3.47Å; V21-V31 HydrophobicContact CG1-CG1 4.18Å; V21-M220 HydrophobicContact CB-CE 4.47Å; V21-M220 HydrophobicContact CG1-CE 3.66Å; V21-M220 HydrophobicContact CG1-SD 4.13Å; V21-M220 WeakPolarHBondContact O-CE 3.38Å; V21-E222 HydrophobicContact CG1-CB 4.48Å; V21-E222 HydrophobicContact CG1-CG 4.42Å; V21-E222 HydrophobicContact CG2-CG 4.11Å
22D85.6Confident90.6Very high4 Ų422.4 Ų22.42%0.02111%0.112CC..Hα-helixtrans-58.4-41.8175.2170.766.9000112.6G18 K19 L24 T25 L44 I46 R62 R420G18-D22 PolarHBondContact O-N 3.43Å; K19-D22 PolarHBondContact O-N 2.78Å; D22-L24 VanDerWaalsContact C-N 3.34Å; D22-L24 PolarHBondContact O-N 2.89Å; D22-T25 PolarHBondContact O-N 3.49Å; D22-T25 PolarHBondContact O-OG1 3.34Å; D22-L44 HydrophobicContact CB-CD2 3.77Å; D22-I46 WeakPolarHBondContact OD1-CD1 3.48Å; D22-R62 VanDerWaalsContact CG-NH2 3.3Å; D22-R62 PolarHBondContact O-NH2 2.76Å; D22-R62 VanDerWaalsContact O-NH2 3.1Å; D22-R62 IonicContact OD1-CZ 3.43Å; D22-R62 IonicContact OD1-NE 2.69Å; D22-R62 PolarHBondContact OD1-NE 3.19Å; D22-R62 IonicContact OD1-NH2 2.75Å; D22-R62 PolarHBondContact OD1-NH2 3.43Å; D22-R62 IonicContact OD2-NH2 3.64Å; D22-R62 PolarHBondContact OD2-NH2 3.37Å; D22-R420 WeakPolarHBondContact OD2-CD 3.4Å; D22-R420 IonicContact OD2-NE 2.9Å
23L88.4Confident90.8Very high25 Ų2522.2 Ų22.213%0.13111%0.111CC..Hα-helixtrans-56.8-48.9176.1-178.967.2000112K19 I20 V21 R420 T423 I425K19-L23 WeakPolarHBondContact O-CB 3.43Å; K19-L23 PolarHBondContact O-N 3.47Å; I20-L23 PolarHBondContact O-N 3.18Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 2.92Å; L23-R420 HydrophobicContact CB-CG 4.49Å; L23-R420 HydrophobicContact CD1-CG 3.78Å; L23-R420 PolarHBondContact O-NH2 3.18Å; L23-T423 HydrophobicContact CD2-CG2 3.52Å; L23-I425 HydrophobicContact CD2-CD1 4.03Å; L23-I425 HydrophobicContact CD2-CG1 4.15Å; L23-I425 HydrophobicContact CG-CD1 4.32Å
24L91.2Very high91.1Very high7 Ų722 Ų224%0.03711%0.109CC..Hα-helixtrans-78.2-20.3-176.2-66.2176.2000113.5V7 I20 V21 D22 E26 R27 M220 L264 I413 P429 F430V7-L24 HydrophobicContact CG2-CD1 4.23Å; I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.34Å; I20-L24 WeakPolarHBondContact O-CB 3.28Å; I20-L24 VanDerWaalsContact O-CG 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.45Å; I20-L24 PolarHBondContact O-N 2.98Å; V21-L24 PolarHBondContact O-N 3.1Å; D22-L24 VanDerWaalsContact C-N 3.34Å; D22-L24 PolarHBondContact O-N 2.89Å; L24-E26 PolarHBondContact O-N 3.1Å; L24-E26 VanDerWaalsContact O-N 3.1Å; L24-R27 PolarHBondContact O-N 3.13Å; L24-M220 HydrophobicContact CB-CE 4.05Å; L24-M220 HydrophobicContact CB-SD 3.8Å; L24-M220 HydrophobicContact CD1-SD 4.34Å; L24-L264 HydrophobicContact CD1-CD2 3.77Å; L24-I413 HydrophobicContact CD1-CD1 4.48Å; L24-I413 HydrophobicContact CD2-CD1 4.28Å; L24-P429 HydrophobicContact CD1-CG 4.43Å; L24-P429 HydrophobicContact CD2-CG 4.4Å; L24-F430 HydrophobicContact CB-CE2 4.21Å
25T89.9Confident91.7Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-60.1-21.5178.659.60000113.5V21 D22 R27 A28 V31 R62 V65 M220V21-T25 HydrophobicContact CG1-CG2 4.1Å; V21-T25 WeakPolarHBondContact O-CG2 3.25Å; V21-T25 PolarHBondContact O-N 3.47Å; D22-T25 PolarHBondContact O-N 3.49Å; D22-T25 PolarHBondContact O-OG1 3.34Å; T25-R27 PolarHBondContact O-N 3.16Å; T25-R27 VanDerWaalsContact O-N 3.11Å; T25-A28 PolarHBondContact O-N 3.37Å; T25-A28 VanDerWaalsContact O-N 3.13Å; T25-V31 HydrophobicContact CG2-CG2 3.83Å; T25-R62 WeakPolarHBondContact OG1-CG 3.49Å; T25-V65 WeakPolarHBondContact O-CG2 3.42Å; T25-M220 HydrophobicContact CG2-CE 3.56Å
26E85.7Confident91.9Very high112 Ų11220 Ų2052%0.52310%0.098SC..THydrogen-bonded Turntrans-58.6-27.5-178.9-170.9165.9152.500113L24 R62 R420L24-E26 PolarHBondContact O-N 3.1Å; L24-E26 VanDerWaalsContact O-N 3.1Å; E26-R62 IonicContact OE2-NH1 2.84Å; E26-R420 IonicContact OE2-CZ 2.77Å; E26-R420 VanDerWaalsContact OE2-CZ 3.22Å; E26-R420 IonicContact OE2-NH1 3.83Å; E26-R420 PolarHBondContact OE2-NH1 3.46Å; E26-R420 IonicContact OE2-NH2 3.12Å; E26-R420 PolarHBondContact OE2-NH2 2.79Å
27R90.7Very high92.3Very high89 Ų8918.6 Ų18.634%0.3368%0.083SC..THydrogen-bonded Turntrans-101.5-19.4176.7-66.3-171.461.6178.9-2.4114.1L24 T25 F218 D428 F430 D431L24-R27 PolarHBondContact O-N 3.13Å; T25-R27 PolarHBondContact O-N 3.16Å; T25-R27 VanDerWaalsContact O-N 3.11Å; R27-F218 WeakPolarHBondContact O-CD2 3.43Å; R27-D428 WeakPolarHBondContact CD-OD2 3.41Å; R27-D428 IonicContact CZ-OD2 3.66Å; R27-D428 IonicContact NH1-OD1 2.75Å; R27-D428 IonicContact NH1-OD2 3.17Å; R27-D428 PolarHBondContact NH1-OD2 3.2Å; R27-F430 HydrophobicContact CB-CD2 4.14Å; R27-F430 HydrophobicContact CB-CE2 4.24Å; R27-D431 IonicContact CZ-OD1 3.75Å; R27-D431 IonicContact CZ-OD2 2.75Å; R27-D431 IonicContact NH1-OD1 2.94Å; R27-D431 PolarHBondContact NH1-OD1 3.49Å; R27-D431 VanDerWaalsContact NH1-OD1 3.12Å; R27-D431 IonicContact NH1-OD2 3.96Å; R27-D431 PolarHBondContact NH1-OD2 3.44Å; R27-D431 IonicContact NH2-OD1 2.98Å; R27-D431 PolarHBondContact NH2-OD1 2.88Å; R27-D431 IonicContact NH2-OD2 3.68Å
28A94.7Very high92.7Very high6 Ų618.6 Ų18.65%0.058%0.084CC..  trans-73.6141.3-177.400000110.9T25 V31 V65 M220 F430T25-A28 PolarHBondContact O-N 3.37Å; T25-A28 VanDerWaalsContact O-N 3.13Å; A28-V31 HydrophobicContact CB-CG2 4.17Å; A28-V65 WeakPolarHBondContact O-CG2 3.47Å; A28-M220 HydrophobicContact CB-CB 4.19Å; A28-M220 HydrophobicContact CB-CE 4.39Å; A28-F430 HydrophobicContact CB-CZ 4.17Å
29K96.5Very high92.9Very high82 Ų8220 Ų2036%0.3579%0.09SC..SBendtrans-86.3-37.6166.1-17859.8-176.81690111.2N64 T66 D217 F218K29-N64 PolarHBondContact NZ-O 2.87Å; K29-T66 PolarHBondContact O-N 3.22Å; K29-D217 HydrophobicContact CB-CB 4.01Å; K29-D217 HydrophobicContact CG-CB 4.29Å; K29-F218 PolarHBondContact N-O 2.83Å
30Y98Very high92.7Very high20 Ų2019.3 Ų19.38%0.0789%0.089CC..EExtended strand (participates in β ladder)trans-125139.2-178.6-60.4-78.7000111.3T66 I68 L208 A212 R215 D217 F218 V219 M220Y30-T66 VanDerWaalsContact CA-O 3.3Å; Y30-T66 WeakPolarHBondContact CA-O 3.28Å; Y30-T66 HydrophobicContact CD1-CG2 4.02Å; Y30-T66 HydrophobicContact CE1-CG2 4.06Å; Y30-I68 HydrophobicContact CD1-CD1 3.78Å; Y30-I68 HydrophobicContact CD1-CG1 4.48Å; Y30-I68 HydrophobicContact CG-CD1 4.39Å; Y30-L208 HydrophobicContact CE1-CD1 4.29Å; Y30-L208 HydrophobicContact CE1-CD2 4.08Å; Y30-L208 HydrophobicContact CE1-CG 4.3Å; Y30-A212 HydrophobicContact CD2-CB 3.76Å; Y30-A212 HydrophobicContact CE2-CB 3.46Å; Y30-A212 VanDerWaalsContact CE2-CB 3.46Å; Y30-R215 PolarHBondContact OH-NH2 3.36Å; Y30-R215 VanDerWaalsContact OH-NH2 3.08Å; Y30-D217 HydrophobicContact CD2-CB 4.39Å; Y30-D217 HydrophobicContact CE2-CB 4.16Å; Y30-F218 PolarHBondContact N-O 3.46Å; Y30-V219 HydrophobicContact CD2-CG2 4.19Å; Y30-M220 PolarHBondContact O-N 2.81Å
31V97.7Very high92.4Very high0 Ų020.4 Ų20.40%010%0.1CC..EExtended strand (participates in β ladder)trans-125.2119.5171.6-178.90000109.5V21 T25 A28 P57 V65 T66 S67 I68 M220 E222V21-V31 HydrophobicContact CG1-CG1 4.18Å; T25-V31 HydrophobicContact CG2-CG2 3.83Å; A28-V31 HydrophobicContact CB-CG2 4.17Å; V31-P57 HydrophobicContact CB-CB 4.46Å; V31-P57 HydrophobicContact CG1-CB 3.91Å; V31-V65 HydrophobicContact CB-CG1 4.14Å; V31-V65 HydrophobicContact CG2-CG1 3.54Å; V31-T66 PolarHBondContact N-O 3.06Å; V31-S67 CarbonylContact O-C 3.58Å; V31-S67 WeakPolarHBondContact O-CA 3.41Å; V31-I68 PolarHBondContact O-N 2.74Å; V31-M220 CarbonylContact C-O 3.22Å; V31-M220 VanDerWaalsContact CA-O 3.3Å; V31-M220 WeakPolarHBondContact CA-O 3.43Å; V31-M220 HydrophobicContact CG2-CB 4.38Å; V31-M220 HydrophobicContact CG2-CE 3.9Å; V31-E222 HydrophobicContact CG1-CB 4.3Å
32V98.4Very high92.3Very high0 Ų021 Ų210%010%0.103CC..EExtended strand (participates in β ladder)trans-118.7118.1-167.1-169.30000110.7I68 L209 V219 M220 F221 E222V32-I68 WeakPolarHBondContact CA-O 3.4Å; V32-I68 HydrophobicContact CB-CB 4.48Å; V32-I68 HydrophobicContact CG1-CB 4.24Å; V32-I68 HydrophobicContact CG1-CG2 4.31Å; V32-I68 HydrophobicContact CG2-CB 4.18Å; V32-I68 HydrophobicContact CG2-CD1 4.19Å; V32-L209 HydrophobicContact CG2-CD1 4.47Å; V32-L209 HydrophobicContact CG2-CD2 3.94Å; V32-V219 HydrophobicContact CG2-CG1 3.81Å; V32-M220 PolarHBondContact N-O 3.3Å; V32-F221 HydrophobicContact CB-CD1 3.69Å; V32-F221 HydrophobicContact CB-CE1 3.88Å; V32-F221 HydrophobicContact CG1-CD1 4.1Å; V32-F221 HydrophobicContact CG1-CE1 4.11Å; V32-F221 HydrophobicContact CG2-CD1 4.22Å; V32-F221 HydrophobicContact CG2-CE1 3.99Å; V32-F221 CarbonylContact O-C 3.5Å; V32-F221 WeakPolarHBondContact O-CA 3.45Å; V32-E222 PolarHBondContact O-N 3.45Å
33R98.3Very high92.2Very high1 Ų123.3 Ų23.30%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-80.4126.8163.5-86.9-76.7-57.2-84-0.7108.7Q35 G37 H54 L55 P57 I68 G70 V73 E222R33-Q35 PolarHBondContact NE-O 3.12Å; R33-Q35 PolarHBondContact NH2-O 2.85Å; R33-G37 PolarHBondContact NH2-O 3.09Å; R33-H54 PolarHBondContact NH1-O 3.4Å; R33-L55 PolarHBondContact NH1-O 2.81Å; R33-P57 HydrophobicContact CB-CG 4.1Å; R33-P57 HydrophobicContact CG-CB 4.12Å; R33-P57 HydrophobicContact CG-CG 3.82Å; R33-I68 PolarHBondContact N-O 2.98Å; R33-G70 WeakPolarHBondContact O-CA 3.28Å; R33-G70 PolarHBondContact O-N 3.47Å; R33-V73 HydrophobicContact CB-CG2 4.03Å; R33-V73 WeakPolarHBondContact O-CG2 3.49Å; R33-E222 WeakPolarHBondContact CD-O 3.39Å; R33-E222 HydrophobicContact CG-CB 4.44Å; R33-E222 HydrophobicContact CG-CG 4.47Å
34Y98.3Very high91.9Very high1 Ų122.1 Ų22.10%0.00411%0.111CC..  trans-112.4-9.7-173.962.1-91.6000114.6V6 G72 F221 G223 G248 V249 G252V6-Y34 HydrophobicContact CG1-CE1 4.49Å; Y34-G72 CarbonylContact O-C 3.56Å; Y34-G72 WeakPolarHBondContact O-CA 3.47Å; Y34-F221 HydrophobicContact CD1-CB 4.04Å; Y34-F221 HydrophobicContact CE1-CB 4.23Å; Y34-G223 VanDerWaalsContact CE1-CA 3.49Å; Y34-G223 WeakPolarHBondContact OH-CA 3.47Å; Y34-G248 VanDerWaalsContact CD2-C 3.44Å; Y34-V249 HydrophobicContact CD1-CG2 3.77Å; Y34-V249 HydrophobicContact CD2-CG2 4.14Å; Y34-V249 HydrophobicContact CE1-CG2 3.67Å; Y34-V249 HydrophobicContact CE2-CG2 4.07Å; Y34-V249 HydrophobicContact CG-CG2 4Å; Y34-G252 VanDerWaalsContact O-CA 3.3Å; Y34-G252 WeakPolarHBondContact O-CA 3.42Å
35Q98.2Very high91.4Very high5 Ų523.9 Ų23.92%0.02312%0.122CC..SBendtrans-155.6175.2-177.584.9-73.530.600113.8R33 G223 A224 N243R33-Q35 PolarHBondContact NE-O 3.12Å; R33-Q35 PolarHBondContact NH2-O 2.85Å; Q35-G223 VanDerWaalsContact NE2-CA 3.34Å; Q35-A224 PolarHBondContact NE2-O 2.81Å; Q35-N243 WeakPolarHBondContact CG-O 3.3Å
36G96.3Very high90.7Very high0 Ų025.9 Ų25.90%013%0.132CC..BIsolated β-bridgetrans75.3-151.1176.900000110.9V73 V74 Y138G36-V73 CarbonylContact O-C 3.52Å; G36-V73 WeakPolarHBondContact O-CA 3.26Å; G36-V73 WeakPolarHBondContact O-CG1 3.36Å; G36-V74 VanDerWaalsContact O-CG2 3.24Å; G36-V74 WeakPolarHBondContact O-CG2 3.23Å; G36-V74 PolarHBondContact O-N 3.16Å; G36-Y138 WeakPolarHBondContact CA-OH 3.47Å; G36-Y138 PolarHBondContact N-OH 3.3Å; G36-Y138 PolarHBondContact O-OH 3.48Å
37G96.5Very high90.2Very high0 Ų028.3 Ų28.30%015%0.149CC..  trans-155.3-143.617200000110R33 N39 H54 V74R33-G37 PolarHBondContact NH2-O 3.09Å; G37-N39 PolarHBondContact N-OD1 2.73Å; G37-N39 PolarHBondContact O-N 2.67Å; G37-N39 VanDerWaalsContact O-N 3.07Å; G37-N39 PolarHBondContact O-OD1 2.75Å; G37-H54 VanDerWaalsContact O-O 3.08Å; G37-V74 VanDerWaalsContact CA-O 3.3Å; G37-V74 WeakPolarHBondContact CA-O 3.35Å
38H95.4Very high89.6Confident12 Ų1227.1 Ų27.16%0.05616%0.164CC..THydrogen-bonded Turntrans-78.522.8175.969.2-76.1000113.4H54 L55 A79 R132H38-H54 HydrophobicContact CB-CB 4.14Å; H38-L55 HydrophobicContact CB-CB 4.16Å; H38-A79 HydrophobicContact CB-CB 3.88Å; H38-R132 PolarHBondContact CE1-O 3.48Å; H38-R132 WeakPolarHBondContact NE2-CB 3.49Å; H38-R132 WeakPolarHBondContact NE2-CD 3.44Å
39N89.2Confident89.1Confident33 Ų3331.8 Ų31.818%0.17619%0.185CC..THydrogen-bonded Turntrans-95.7-2.7171.766.5-30.1000112.9G37 T130 I134 Q225G37-N39 PolarHBondContact N-OD1 2.73Å; G37-N39 PolarHBondContact O-N 2.67Å; G37-N39 VanDerWaalsContact O-N 3.07Å; G37-N39 PolarHBondContact O-OD1 2.75Å; N39-T130 HydrophobicContact CB-CG2 3.97Å; N39-I134 HydrophobicContact CB-CD1 3.98Å; N39-I134 HydrophobicContact CB-CG1 3.76Å; N39-Q225 PolarHBondContact OD1-NE2 2.82Å
40A83.2Confident88.7Confident8 Ų834.3 Ų34.37%0.06620%0.196CC..  trans-77.7169.3166.900000110.4H54 A224A40-H54 PolarHBondContact O-CD2 3.49Å; A40-A224 HydrophobicContact CB-CB 3.9Å
41G82.9Confident88.2Confident24 Ų2433.7 Ų33.725%0.24719%0.194CC..  trans-156.275.4177.400000109.8T43 L53G41-T43 PolarHBondContact O-N 2.85Å; G41-L53 CarbonylContact C-O 3.57Å; G41-L53 WeakPolarHBondContact CA-O 3.42Å
42H83.1Confident87.8Confident13 Ų1335.6 Ų35.66%0.0621%0.206CC..EExtended strand (participates in β ladder)trans-83.8109.2-178.4-63.5169.2000108.9V52 L53 E222H42-V52 WeakPolarHBondContact O-CA 3.48Å; H42-L53 PolarHBondContact N-O 2.96Å; H42-L53 PolarHBondContact O-N 3Å; H42-E222 IonicContact CE1-OE1 3.23Å; H42-E222 PolarHBondContact CE1-OE1 3.3Å; H42-E222 IonicContact CG-OE1 2.9Å; H42-E222 IonicContact ND1-OE1 2.71Å; H42-E222 PolarHBondContact ND1-OE1 3.26Å
43T83.1Confident87.6Confident51 Ų5135.7 Ų35.731%0.31321%0.206SC..EExtended strand (participates in β ladder)trans-86.8126.1176.2-58.30000109.3G41 K50 T51 V52G41-T43 PolarHBondContact O-N 2.85Å; T43-K50 HydrophobicContact CG2-CD 4.24Å; T43-K50 HydrophobicContact CG2-CG 3.88Å; T43-T51 WeakPolarHBondContact CA-O 3.4Å; T43-V52 HydrophobicContact CG2-CG2 4.47Å
44L83.2Confident87.4Confident1 Ų137.8 Ų37.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-115.1140.9174.4-56.8176.2000108.4G18 D22 K50 T51 L53 L61G18-L44 WeakPolarHBondContact O-CD2 3.23Å; D22-L44 HydrophobicContact CB-CD2 3.77Å; L44-K50 CarbonylContact O-C 3.49Å; L44-K50 WeakPolarHBondContact O-CA 3.4Å; L44-T51 PolarHBondContact N-O 3.01Å; L44-T51 PolarHBondContact O-N 3.34Å; L44-L53 HydrophobicContact CD1-CD1 3.69Å; L44-L53 HydrophobicContact CD1-CG 4.47Å; L44-L61 HydrophobicContact CB-CD1 4.22Å; L44-L61 HydrophobicContact CD1-CD1 3.56Å; L44-L61 HydrophobicContact CD1-CG 4.26Å
45V79.7Confident87.3Confident43 Ų4337.7 Ų37.726%0.26122%0.216SC..EExtended strand (participates in β ladder)trans-126.9109.6171.7-1770000107.2E49V45-E49 WeakPolarHBondContact CA-O 3.38Å
46I75.7Confident87.3Confident42 Ų4237.5 Ų37.522%0.21522%0.215CC..EExtended strand (participates in β ladder)trans-121121.7-180-57-174.8000107.6D22 G48 E49 L61D22-I46 WeakPolarHBondContact OD1-CD1 3.48Å; I46-G48 PolarHBondContact O-N 3.31Å; I46-G48 VanDerWaalsContact O-N 3.16Å; I46-E49 PolarHBondContact N-O 3.47Å; I46-E49 WeakPolarHBondContact O-CB 3.34Å; I46-E49 PolarHBondContact O-N 3.36Å; I46-L61 HydrophobicContact CD1-CB 3.81Å; I46-L61 HydrophobicContact CD1-CD1 3.46Å; I46-L61 VanDerWaalsContact CD1-CD1 3.46Å; I46-L61 HydrophobicContact CD1-CG 4.26Å; I46-L61 HydrophobicContact CG1-CD1 4.3Å
47N75.6Confident87.2Confident163 Ų16337.5 Ų37.587%0.87222%0.215SC*.THydrogen-bonded Turntrans51.837.3-178.2-57.3-31.8000113.2E49N47-E49 VanDerWaalsContact C-N 3.26Å; N47-E49 PolarHBondContact O-N 3.34Å
48G78.4Confident87.1Confident64 Ų6437.5 Ų37.566%0.6622%0.215SC*.THydrogen-bonded Turntrans80.2-6.3-177.200000115.3I46I46-G48 PolarHBondContact O-N 3.31Å; I46-G48 VanDerWaalsContact O-N 3.16Å
49E83.9Confident87Confident104 Ų10437 Ų3749%0.48621%0.212SC..EExtended strand (participates in β ladder)trans-90121.5178-164.9-176.7172.800111.3V45 I46 N47 R90V45-E49 WeakPolarHBondContact CA-O 3.38Å; I46-E49 PolarHBondContact N-O 3.47Å; I46-E49 WeakPolarHBondContact O-CB 3.34Å; I46-E49 PolarHBondContact O-N 3.36Å; N47-E49 VanDerWaalsContact C-N 3.26Å; N47-E49 PolarHBondContact O-N 3.34Å; E49-R90 IonicContact OE1-CZ 2.9Å; E49-R90 IonicContact OE1-NE 2.93Å; E49-R90 PolarHBondContact OE1-NE 3.33Å; E49-R90 IonicContact OE1-NH2 3.65Å; E49-R90 PolarHBondContact OE1-NH2 2.96Å; E49-R90 IonicContact OE2-NH2 2.73Å; E49-R90 PolarHBondContact OE2-NH2 2.89Å
50K86.7Confident87.2Confident136 Ų13635.4 Ų35.459%0.59120%0.204SC*.EExtended strand (participates in β ladder)trans-86.1122.5179.5-175.2-177.9177.9-178.50110.8T43 L44T43-K50 HydrophobicContact CG2-CD 4.24Å; T43-K50 HydrophobicContact CG2-CG 3.88Å; L44-K50 CarbonylContact O-C 3.49Å; L44-K50 WeakPolarHBondContact O-CA 3.4Å
51T88.3Confident87.7Confident6 Ų636.4 Ų36.44%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-117.2135.8170.6-53.80000109.5T43 L44 L53 L61 L87 R90T43-T51 WeakPolarHBondContact CA-O 3.4Å; L44-T51 PolarHBondContact N-O 3.01Å; L44-T51 PolarHBondContact O-N 3.34Å; T51-L53 HydrophobicContact CG2-CD2 3.89Å; T51-L53 HydrophobicContact CG2-CG 4.07Å; T51-L61 HydrophobicContact CG2-CD1 4.46Å; T51-L87 HydrophobicContact CG2-CD2 3.95Å; T51-R90 VanDerWaalsContact CG2-NH1 3.34Å; T51-R90 PolarHBondContact OG1-NH1 2.86Å; T51-R90 PolarHBondContact OG1-NH2 3.47Å
52V90.2Very high88Confident40 Ų4037.3 Ų37.324%0.24220%0.204CC..EExtended strand (participates in β ladder)trans-114.9122171.8-1770000107.8H42 T43 A300H42-V52 WeakPolarHBondContact O-CA 3.48Å; T43-V52 HydrophobicContact CG2-CG2 4.47Å; V52-A300 HydrophobicContact CG1-CB 4.46Å
53L93.4Very high88.4Confident2 Ų244 Ų441%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-109.4139177.1-59.9173.3000110.4G41 H42 L44 T51 I60 E83 L87G41-L53 CarbonylContact C-O 3.57Å; G41-L53 WeakPolarHBondContact CA-O 3.42Å; H42-L53 PolarHBondContact N-O 2.96Å; H42-L53 PolarHBondContact O-N 3Å; L44-L53 HydrophobicContact CD1-CD1 3.69Å; L44-L53 HydrophobicContact CD1-CG 4.47Å; T51-L53 HydrophobicContact CG2-CD2 3.89Å; T51-L53 HydrophobicContact CG2-CG 4.07Å; L53-I60 HydrophobicContact CD1-CG2 3.93Å; L53-I60 HydrophobicContact CD2-CG2 4.48Å; L53-E83 WeakPolarHBondContact CA-OE1 3.35Å; L53-E83 VanDerWaalsContact CB-OE1 3.29Å; L53-E83 WeakPolarHBondContact CB-OE1 3.32Å; L53-E83 HydrophobicContact CD2-CG 4.31Å; L53-E83 VanDerWaalsContact CD2-OE1 3.31Å; L53-E83 WeakPolarHBondContact CD2-OE1 3.4Å; L53-L87 HydrophobicContact CD2-CD1 3.85Å; L53-L87 HydrophobicContact CD2-CD2 4.01Å; L53-L87 HydrophobicContact CD2-CG 4.37Å
54H94.2Very high88.7Confident45 Ų4546.4 Ų46.421%0.20825%0.246CC..SBendtrans-111.9-46.4-176.5-68.581.3000110.9R33 G37 H38 A40 E83 T301R33-H54 PolarHBondContact NH1-O 3.4Å; G37-H54 VanDerWaalsContact O-O 3.08Å; H38-H54 HydrophobicContact CB-CB 4.14Å; A40-H54 PolarHBondContact O-CD2 3.49Å; H54-E83 PolarHBondContact N-OE1 3.08Å; H54-T301 PolarHBondContact NE2-OG1 2.94Å
55L96.1Very high89.3Confident0 Ų046.5 Ų46.50%025%0.247CC..SBendtrans-117.1-44.6-175.8-172.866.2000111.4R33 H38 I69 V73 L75 L80 E83R33-L55 PolarHBondContact NH1-O 2.81Å; H38-L55 HydrophobicContact CB-CB 4.16Å; L55-I69 HydrophobicContact CD2-CD1 4.36Å; L55-I69 HydrophobicContact CG-CD1 3.94Å; L55-V73 HydrophobicContact CD1-CG1 3.51Å; L55-L75 HydrophobicContact CD2-CG 4.13Å; L55-L80 HydrophobicContact CD2-CB 3.72Å; L55-L80 HydrophobicContact CD2-CD1 4.05Å; L55-L80 HydrophobicContact CD2-CG 4.31Å; L55-E83 WeakPolarHBondContact CB-OE2 3.5Å; L55-E83 PolarHBondContact N-OE1 3.37Å; L55-E83 PolarHBondContact N-OE2 2.86Å
56I97.2Very high90.2Very high1 Ų145.8 Ų45.81%0.00524%0.243CC..SBendtrans-67.2133.1-178.7-64.2176.5000109.4I60 L80 E83 M84 L87 V94 L98I56-I60 HydrophobicContact CG2-CB 3.58Å; I56-I60 HydrophobicContact CG2-CD1 4.07Å; I56-I60 HydrophobicContact CG2-CG1 3.73Å; I56-I60 HydrophobicContact CG2-CG2 3.69Å; I56-L80 HydrophobicContact CD1-CD1 3.97Å; I56-L80 HydrophobicContact CG1-CD1 3.65Å; I56-E83 HydrophobicContact CD1-CB 4.11Å; I56-E83 HydrophobicContact CD1-CG 3.95Å; I56-E83 HydrophobicContact CG1-CG 4.28Å; I56-E83 PolarHBondContact N-OE1 3.04Å; I56-E83 PolarHBondContact N-OE2 3.26Å; I56-M84 HydrophobicContact CD1-CG 3.94Å; I56-L87 HydrophobicContact CD1-CD1 3.68Å; I56-L87 HydrophobicContact CG2-CD1 4.42Å; I56-V94 HydrophobicContact CD1-CG1 3.98Å; I56-L98 HydrophobicContact CD1-CD2 4.44Å; I56-L98 HydrophobicContact CG1-CD2 4.25Å
57P95.8Very high91.2Very high0 Ų043.8 Ų43.80%023%0.233CC..  trans-59.9149177.1-22.931.6000113.4V31 R33 G59 I60 I68 I69 E222V31-P57 HydrophobicContact CB-CB 4.46Å; V31-P57 HydrophobicContact CG1-CB 3.91Å; R33-P57 HydrophobicContact CB-CG 4.1Å; R33-P57 HydrophobicContact CG-CB 4.12Å; R33-P57 HydrophobicContact CG-CG 3.82Å; P57-G59 PolarHBondContact O-N 3.36Å; P57-I60 PolarHBondContact O-N 3.32Å; P57-I60 VanDerWaalsContact O-N 3.15Å; P57-I68 WeakPolarHBondContact CG-O 3.22Å; P57-I69 HydrophobicContact CG-CG1 4.42Å; P57-E222 WeakPolarHBondContact CA-OE2 3.48Å; P57-E222 WeakPolarHBondContact CB-OE2 3.39Å
58S92.9Very high92.3Very high0 Ų036 Ų360%019%0.191CC..G310 helixtrans-63.4-16.7-176.4-63.80000114.3I60 E222S58-I60 PolarHBondContact O-N 2.87Å; S58-E222 WeakPolarHBondContact CB-OE1 3.37Å; S58-E222 PolarHBondContact N-OE2 3.11Å; S58-E222 PolarHBondContact OG-OE1 2.8Å
59G93.5Very high93.3Very high0 Ų033 Ų330%016%0.16CC..G310 helixtrans-70.7-10175.900000115.5P57 L61 R62P57-G59 PolarHBondContact O-N 3.36Å; G59-L61 PolarHBondContact O-N 3.42Å; G59-L61 VanDerWaalsContact O-N 3.08Å; G59-R62 PolarHBondContact O-N 2.87Å
60I94.9Very high94Very high0 Ų028 Ų280%014%0.136CC..G310 helixtrans-60.7-25-175.4-159.270.9000113.6L53 I56 P57 S58 R62 S67 L87 I92 V94 R97 L98L53-I60 HydrophobicContact CD1-CG2 3.93Å; L53-I60 HydrophobicContact CD2-CG2 4.48Å; I56-I60 HydrophobicContact CG2-CB 3.58Å; I56-I60 HydrophobicContact CG2-CD1 4.07Å; I56-I60 HydrophobicContact CG2-CG1 3.73Å; I56-I60 HydrophobicContact CG2-CG2 3.69Å; P57-I60 PolarHBondContact O-N 3.32Å; P57-I60 VanDerWaalsContact O-N 3.15Å; S58-I60 PolarHBondContact O-N 2.87Å; I60-R62 PolarHBondContact O-N 3.35Å; I60-S67 WeakPolarHBondContact CA-OG 3.22Å; I60-S67 PolarHBondContact N-OG 3.15Å; I60-S67 VanDerWaalsContact N-OG 3.12Å; I60-L87 HydrophobicContact CG2-CD1 4.07Å; I60-I92 HydrophobicContact CG1-CG2 4.37Å; I60-V94 HydrophobicContact CD1-CG1 4.08Å; I60-V94 HydrophobicContact CG1-CG1 4.32Å; I60-V94 HydrophobicContact CG1-CG2 4.27Å; I60-R97 HydrophobicContact CD1-CB 3.75Å; I60-R97 PolarHBondContact O-NH1 3.22Å; I60-L98 HydrophobicContact CD1-CB 4.18Å
61L91.9Very high94.6Very high30 Ų3023 Ų2316%0.15712%0.116CC..G310 helixtrans-76.1-9.2179.8-56.8-174.2000113.1L44 I46 T51 G59 L87 I92L44-L61 HydrophobicContact CB-CD1 4.22Å; L44-L61 HydrophobicContact CD1-CD1 3.56Å; L44-L61 HydrophobicContact CD1-CG 4.26Å; I46-L61 HydrophobicContact CD1-CB 3.81Å; I46-L61 HydrophobicContact CD1-CD1 3.46Å; I46-L61 VanDerWaalsContact CD1-CD1 3.46Å; I46-L61 HydrophobicContact CD1-CG 4.26Å; I46-L61 HydrophobicContact CG1-CD1 4.3Å; T51-L61 HydrophobicContact CG2-CD1 4.46Å; G59-L61 PolarHBondContact O-N 3.42Å; G59-L61 VanDerWaalsContact O-N 3.08Å; L61-L87 HydrophobicContact CD2-CD2 4.14Å; L61-I92 HydrophobicContact CD2-CD1 3.31Å; L61-I92 HydrophobicContact CD2-CG1 4.22Å
62R90.6Very high95.1Very high42 Ų4223 Ų2316%0.15812%0.118CC..SBendtrans-100.5136.3179-61.6-52.6179.1121.72.4111.9D22 T25 E26 G59 I60 N64 V65 R97 R420D22-R62 VanDerWaalsContact CG-NH2 3.3Å; D22-R62 PolarHBondContact O-NH2 2.76Å; D22-R62 VanDerWaalsContact O-NH2 3.1Å; D22-R62 IonicContact OD1-CZ 3.43Å; D22-R62 IonicContact OD1-NE 2.69Å; D22-R62 PolarHBondContact OD1-NE 3.19Å; D22-R62 IonicContact OD1-NH2 2.75Å; D22-R62 PolarHBondContact OD1-NH2 3.43Å; D22-R62 IonicContact OD2-NH2 3.64Å; D22-R62 PolarHBondContact OD2-NH2 3.37Å; T25-R62 WeakPolarHBondContact OG1-CG 3.49Å; E26-R62 IonicContact OE2-NH1 2.84Å; G59-R62 PolarHBondContact O-N 2.87Å; I60-R62 PolarHBondContact O-N 3.35Å; R62-N64 VanDerWaalsContact C-N 3.31Å; R62-N64 PolarHBondContact O-N 2.8Å; R62-V65 HydrophobicContact CB-CB 3.94Å; R62-V65 HydrophobicContact CB-CG2 3.46Å; R62-V65 VanDerWaalsContact CB-CG2 3.46Å; R62-V65 HydrophobicContact CG-CG2 4.19Å; R62-R97 PolarHBondContact O-NH1 2.96Å; R62-R420 VanDerWaalsContact NH2-NE 3.13Å
63E91.1Very high95.5Very high153 Ų15321.1 Ų21.172%0.71511%0.106SC*.THydrogen-bonded Turntrans-67.3-33.6-175.1-53-168.6153.500113.4V65 R97E63-V65 VanDerWaalsContact C-N 3.34Å; E63-R97 VanDerWaalsContact CA-CZ 3.46Å
64N88.5Confident95.7Very high103 Ų10321 Ų2155%0.55111%0.106SC*.THydrogen-bonded Turntrans-89.8-5-171.2-13.2-37000112.7K29 R62K29-N64 PolarHBondContact NZ-O 2.87Å; R62-N64 VanDerWaalsContact C-N 3.31Å; R62-N64 PolarHBondContact O-N 2.8Å
65V96.3Very high95.9Very high2 Ų218.9 Ų18.91%0.01210%0.096CC..  trans-105.4129.3-166.7179.60000110.6T25 A28 V31 R62 E63T25-V65 WeakPolarHBondContact O-CG2 3.42Å; A28-V65 WeakPolarHBondContact O-CG2 3.47Å; V31-V65 HydrophobicContact CB-CG1 4.14Å; V31-V65 HydrophobicContact CG2-CG1 3.54Å; R62-V65 HydrophobicContact CB-CB 3.94Å; R62-V65 HydrophobicContact CB-CG2 3.46Å; R62-V65 VanDerWaalsContact CB-CG2 3.46Å; R62-V65 HydrophobicContact CG-CG2 4.19Å; E63-V65 VanDerWaalsContact C-N 3.34Å
66T98Very high96.1Very high29 Ų2919.6 Ų19.618%0.17810%0.1CC..EExtended strand (participates in β ladder)trans-92.8118.9167.7-58.60000109.1K29 Y30 V31 I68 R97 L99K29-T66 PolarHBondContact O-N 3.22Å; Y30-T66 VanDerWaalsContact CA-O 3.3Å; Y30-T66 WeakPolarHBondContact CA-O 3.28Å; Y30-T66 HydrophobicContact CD1-CG2 4.02Å; Y30-T66 HydrophobicContact CE1-CG2 4.06Å; V31-T66 PolarHBondContact N-O 3.06Å; T66-I68 HydrophobicContact CG2-CG1 4.39Å; T66-R97 CarbonylContact C-O 3.53Å; T66-R97 WeakPolarHBondContact CA-O 3.36Å; T66-L99 HydrophobicContact CG2-CD1 3.48Å; T66-L99 VanDerWaalsContact CG2-CD1 3.48Å; T66-L99 HydrophobicContact CG2-CG 3.76Å
67S98.2Very high96.1Very high0 Ų019.9 Ų19.90%010%0.102CC..EExtended strand (participates in β ladder)trans-88.2137.6175.4-66.40000110.3V31 I60 R97 L98 L99V31-S67 CarbonylContact O-C 3.58Å; V31-S67 WeakPolarHBondContact O-CA 3.41Å; I60-S67 WeakPolarHBondContact CA-OG 3.22Å; I60-S67 PolarHBondContact N-OG 3.15Å; I60-S67 VanDerWaalsContact N-OG 3.12Å; S67-R97 PolarHBondContact N-O 2.66Å; S67-L98 CarbonylContact O-C 3.58Å; S67-L98 WeakPolarHBondContact O-CA 3.32Å; S67-L99 PolarHBondContact O-N 2.87Å
68I98.8Very high96.2Very high0 Ų023.3 Ų23.30%013%0.131CC..EExtended strand (participates in β ladder)trans-128.6131.3-177.2-53.4178.5000109.9Y30 V31 V32 R33 P57 T66 L99 V205 L208 L209Y30-I68 HydrophobicContact CD1-CD1 3.78Å; Y30-I68 HydrophobicContact CD1-CG1 4.48Å; Y30-I68 HydrophobicContact CG-CD1 4.39Å; V31-I68 PolarHBondContact O-N 2.74Å; V32-I68 WeakPolarHBondContact CA-O 3.4Å; V32-I68 HydrophobicContact CB-CB 4.48Å; V32-I68 HydrophobicContact CG1-CB 4.24Å; V32-I68 HydrophobicContact CG1-CG2 4.31Å; V32-I68 HydrophobicContact CG2-CB 4.18Å; V32-I68 HydrophobicContact CG2-CD1 4.19Å; R33-I68 PolarHBondContact N-O 2.98Å; P57-I68 WeakPolarHBondContact CG-O 3.22Å; T66-I68 HydrophobicContact CG2-CG1 4.39Å; I68-L99 WeakPolarHBondContact CA-O 3.43Å; I68-L99 HydrophobicContact CG1-CB 4.33Å; I68-V205 HydrophobicContact CG2-CB 4.37Å; I68-V205 HydrophobicContact CG2-CG1 3.76Å; I68-V205 HydrophobicContact CG2-CG2 3.63Å; I68-L208 HydrophobicContact CD1-CD2 3.68Å; I68-L209 HydrophobicContact CD1-CD2 4.23Å
69I98.8Very high96.5Very high0 Ų024.3 Ų24.30%014%0.139CC..EExtended strand (participates in β ladder)trans-98105.2165.9-63.3171.4000108L55 P57 V73 L75 L80 L98 L99 L100 S101L55-I69 HydrophobicContact CD2-CD1 4.36Å; L55-I69 HydrophobicContact CG-CD1 3.94Å; P57-I69 HydrophobicContact CG-CG1 4.42Å; I69-V73 HydrophobicContact CG2-CB 3.63Å; I69-V73 HydrophobicContact CG2-CG1 3.76Å; I69-V73 HydrophobicContact CG2-CG2 3.93Å; I69-L75 HydrophobicContact CG2-CD1 4.41Å; I69-L80 HydrophobicContact CD1-CD1 4.27Å; I69-L98 HydrophobicContact CD1-CD1 4.11Å; I69-L98 HydrophobicContact CD1-CD2 4.45Å; I69-L98 HydrophobicContact CG1-CD1 4.13Å; I69-L99 PolarHBondContact N-O 3.1Å; I69-L100 HydrophobicContact CB-CD2 3.77Å; I69-L100 HydrophobicContact CD1-CD2 3.66Å; I69-L100 HydrophobicContact CG1-CD2 4.08Å; I69-S101 PolarHBondContact O-N 3.1Å
70G98.7Very high96.7Very high0 Ų024.3 Ų24.30%014%0.139CC..  trans-76.8163.5-177.800000113.8R33 G72 V73 C104 G252R33-G70 WeakPolarHBondContact O-CA 3.28Å; R33-G70 PolarHBondContact O-N 3.47Å; G70-G72 PolarHBondContact O-N 3.33Å; G70-V73 WeakPolarHBondContact O-CB 3.45Å; G70-V73 PolarHBondContact O-N 2.78Å; G70-C104 PolarHBondContact O-SG 3.24Å; G70-G252 CarbonylContact C-O 3.47Å; G70-G252 WeakPolarHBondContact CA-O 3.46Å
71N98.8Very high96.9Very high30 Ų3025.9 Ų25.916%0.1615%0.147CC..THydrogen-bonded Turntrans-60.9-13.9-172.866.5-84.1000115.5V73 S101 A103 T251 G252 S253N71-V73 VanDerWaalsContact C-N 3.34Å; N71-S101 WeakPolarHBondContact CB-OG 3.43Å; N71-A103 HydrophobicContact CB-CB 3.65Å; N71-T251 PolarHBondContact ND2-O 2.67Å; N71-G252 PolarHBondContact N-O 2.83Å; N71-G252 PolarHBondContact OD1-O 3.34Å; N71-S253 WeakPolarHBondContact OD1-CA 3.47Å; N71-S253 PolarHBondContact OD1-N 2.83Å
72G98.6Very high97.1Very high7 Ų730.7 Ų30.77%0.07217%0.167CC..THydrogen-bonded Turntrans-81.4-12.4175.200000114Y34 G70 Y138 G252Y34-G72 CarbonylContact O-C 3.56Å; Y34-G72 WeakPolarHBondContact O-CA 3.47Å; G70-G72 PolarHBondContact O-N 3.33Å; G72-Y138 PolarHBondContact O-OH 2.92Å; G72-G252 PolarHBondContact N-O 3.26Å
73V98.8Very high97.5Very high0 Ų029.1 Ų29.10%016%0.161CC..BIsolated β-bridgetrans-83.3131.5178.6-1760000110.7R33 G36 L55 I69 G70 N71 P105R33-V73 HydrophobicContact CB-CG2 4.03Å; R33-V73 WeakPolarHBondContact O-CG2 3.49Å; G36-V73 CarbonylContact O-C 3.52Å; G36-V73 WeakPolarHBondContact O-CA 3.26Å; G36-V73 WeakPolarHBondContact O-CG1 3.36Å; L55-V73 HydrophobicContact CD1-CG1 3.51Å; I69-V73 HydrophobicContact CG2-CB 3.63Å; I69-V73 HydrophobicContact CG2-CG1 3.76Å; I69-V73 HydrophobicContact CG2-CG2 3.93Å; G70-V73 WeakPolarHBondContact O-CB 3.45Å; G70-V73 PolarHBondContact O-N 2.78Å; N71-V73 VanDerWaalsContact C-N 3.34Å; V73-P105 WeakPolarHBondContact O-CD 3.48Å
74V98.7Very high97.8Very high0 Ų021.9 Ų21.90%013%0.127CC..  trans-85.8118.2167.7-69.70000109.6G36 G37 P105 I107 I134 A137 Y138G36-V74 VanDerWaalsContact O-CG2 3.24Å; G36-V74 WeakPolarHBondContact O-CG2 3.23Å; G36-V74 PolarHBondContact O-N 3.16Å; G37-V74 VanDerWaalsContact CA-O 3.3Å; G37-V74 WeakPolarHBondContact CA-O 3.35Å; V74-P105 CarbonylContact C-O 3.54Å; V74-P105 WeakPolarHBondContact CA-O 3.34Å; V74-P105 HydrophobicContact CG1-CB 4.11Å; V74-P105 HydrophobicContact CG1-CG 4.06Å; V74-I107 HydrophobicContact CB-CD1 3.93Å; V74-I107 HydrophobicContact CB-CG1 3.87Å; V74-I107 HydrophobicContact CG2-CD1 3.76Å; V74-I107 HydrophobicContact CG2-CG1 4.21Å; V74-I107 WeakPolarHBondContact O-CD1 3.24Å; V74-I134 HydrophobicContact CG2-CD1 3.93Å; V74-I134 HydrophobicContact CG2-CG2 4.05Å; V74-A137 HydrophobicContact CB-CB 4.17Å; V74-A137 HydrophobicContact CG1-CB 3.99Å; V74-Y138 HydrophobicContact CB-CE2 4.5Å; V74-Y138 HydrophobicContact CG1-CD1 3.89Å; V74-Y138 HydrophobicContact CG1-CD2 4.07Å; V74-Y138 HydrophobicContact CG1-CE1 3.71Å; V74-Y138 HydrophobicContact CG1-CE2 3.93Å; V74-Y138 HydrophobicContact CG1-CG 4.07Å; V74-Y138 HydrophobicContact CG2-CD2 4.2Å; V74-Y138 HydrophobicContact CG2-CE2 3.67Å
75L98.8Very high98.2Very high0 Ų022.5 Ų22.50%013%0.125CC..BIsolated β-bridgetrans-104.8120.6-165.5-174.4152.4000110.3L55 I69 P77 L80 L100 C104 P105 L106 I107 V149 L198L55-L75 HydrophobicContact CD2-CG 4.13Å; I69-L75 HydrophobicContact CG2-CD1 4.41Å; L75-P77 HydrophobicContact CD2-CG 4.26Å; L75-P77 WeakPolarHBondContact O-CD 3.19Å; L75-L80 HydrophobicContact CD1-CD2 4.01Å; L75-L80 HydrophobicContact CD2-CD2 4.28Å; L75-L80 HydrophobicContact CG-CD2 4.35Å; L75-L100 HydrophobicContact CD1-CD1 4.17Å; L75-L100 HydrophobicContact CD1-CD2 4.02Å; L75-C104 HydrophobicContact CB-CB 4.21Å; L75-C104 HydrophobicContact CD1-CB 4.47Å; L75-P105 PolarHBondContact N-O 3.05Å; L75-L106 HydrophobicContact CD2-CD2 4.03Å; L75-L106 CarbonylContact O-C 3.59Å; L75-L106 WeakPolarHBondContact O-CA 3.27Å; L75-I107 PolarHBondContact O-N 3.18Å; L75-V149 HydrophobicContact CD1-CG2 4.13Å; L75-V149 HydrophobicContact CD2-CG2 4.48Å; L75-L198 HydrophobicContact CD2-CD1 4.41Å
76S98.6Very high98.2Very high14 Ų1427 Ų2710%0.09815%0.146CC..  trans-92117.4167.8172.10000109.1A78 A79 L80S76-A78 VanDerWaalsContact C-N 3.31Å; S76-A78 PolarHBondContact O-N 2.99Å; S76-A79 PolarHBondContact O-N 3.43Å; S76-A79 PolarHBondContact OG-N 3.4Å; S76-L80 PolarHBondContact O-N 2.88Å
77P98.6Very high98.1Very high7 Ų725.9 Ų25.95%0.04514%0.139CC..Hα-helixtrans-55.3-46.4176.9-29.737.9000112.4L75 A79 L80 M81 L106 I107 L108 V194 L198L75-P77 HydrophobicContact CD2-CG 4.26Å; L75-P77 WeakPolarHBondContact O-CD 3.19Å; P77-A79 PolarHBondContact O-N 2.95Å; P77-L80 PolarHBondContact O-N 3.47Å; P77-M81 WeakPolarHBondContact O-CB 3.48Å; P77-M81 WeakPolarHBondContact O-CG 3.41Å; P77-M81 PolarHBondContact O-N 3.37Å; P77-L106 HydrophobicContact CG-CD2 4.02Å; P77-I107 WeakPolarHBondContact CD-O 3.33Å; P77-L108 HydrophobicContact CG-CD2 4.47Å; P77-V194 HydrophobicContact CB-CG2 3.91Å; P77-L198 HydrophobicContact CB-CD1 3.99Å; P77-L198 HydrophobicContact CG-CD1 4.09Å
78A97.8Very high98.1Very high73 Ų7328.5 Ų28.560%0.60315%0.151SC*.Hα-helixtrans-61.9-43.2179.400000112.5S76 K82S76-A78 VanDerWaalsContact C-N 3.31Å; S76-A78 PolarHBondContact O-N 2.99Å; A78-K82 WeakPolarHBondContact O-CB 3.4Å; A78-K82 PolarHBondContact O-N 3.49Å
79A97.6Very high98Very high21 Ų2133.9 Ų33.917%0.17418%0.18CC..Hα-helixtrans-66.5-43.5177.900000111.7H38 S76 P77 K82 E83H38-A79 HydrophobicContact CB-CB 3.88Å; S76-A79 PolarHBondContact O-N 3.43Å; S76-A79 PolarHBondContact OG-N 3.4Å; P77-A79 PolarHBondContact O-N 2.95Å; A79-K82 PolarHBondContact O-N 3.29Å; A79-E83 WeakPolarHBondContact O-CB 3.29Å; A79-E83 PolarHBondContact O-N 3.25Å
80L98.4Very high97.7Very high0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-60.9-48.9177.4-178.154.4000110.8L55 I56 I69 L75 S76 P77 K82 E83 M84 L98 L100 L198L55-L80 HydrophobicContact CD2-CB 3.72Å; L55-L80 HydrophobicContact CD2-CD1 4.05Å; L55-L80 HydrophobicContact CD2-CG 4.31Å; I56-L80 HydrophobicContact CD1-CD1 3.97Å; I56-L80 HydrophobicContact CG1-CD1 3.65Å; I69-L80 HydrophobicContact CD1-CD1 4.27Å; L75-L80 HydrophobicContact CD1-CD2 4.01Å; L75-L80 HydrophobicContact CD2-CD2 4.28Å; L75-L80 HydrophobicContact CG-CD2 4.35Å; S76-L80 PolarHBondContact O-N 2.88Å; P77-L80 PolarHBondContact O-N 3.47Å; L80-K82 VanDerWaalsContact C-N 3.3Å; L80-K82 PolarHBondContact O-N 2.84Å; L80-E83 PolarHBondContact O-N 2.92Å; L80-M84 HydrophobicContact CD1-CG 3.97Å; L80-M84 HydrophobicContact CD1-SD 4.18Å; L80-M84 HydrophobicContact CD2-SD 4.48Å; L80-M84 HydrophobicContact CG-CG 4.21Å; L80-M84 HydrophobicContact CG-SD 3.88Å; L80-M84 WeakPolarHBondContact O-CB 3.17Å; L80-M84 VanDerWaalsContact O-CG 3.23Å; L80-M84 WeakPolarHBondContact O-CG 3.36Å; L80-M84 PolarHBondContact O-N 2.97Å; L80-L98 HydrophobicContact CD1-CD2 3.92Å; L80-L100 HydrophobicContact CD2-CD1 4.14Å; L80-L100 HydrophobicContact CD2-CD2 4.23Å; L80-L198 HydrophobicContact CD2-CD2 3.66Å
81M98.4Very high97.6Very high32 Ų3241.3 Ų41.316%0.15823%0.227CC..Hα-helixtrans-63.5-37-178.7-72-48.1-43.200112.9P77 M84 K85 V194 I197P77-M81 WeakPolarHBondContact O-CB 3.48Å; P77-M81 WeakPolarHBondContact O-CG 3.41Å; P77-M81 PolarHBondContact O-N 3.37Å; M81-M84 HydrophobicContact CE-CE 4.49Å; M81-M84 HydrophobicContact CE-SD 4.17Å; M81-M84 HydrophobicContact SD-SD 3.86Å; M81-K85 WeakPolarHBondContact O-CB 3.46Å; M81-K85 PolarHBondContact O-N 3.23Å; M81-V194 HydrophobicContact CG-CB 3.97Å; M81-V194 HydrophobicContact CG-CG1 3.77Å; M81-V194 HydrophobicContact CG-CG2 4.42Å; M81-V194 HydrophobicContact SD-CB 4.41Å; M81-I197 HydrophobicContact CE-CD1 4.01Å; M81-I197 HydrophobicContact CE-CG2 4.27Å; M81-I197 HydrophobicContact SD-CB 4.45Å; M81-I197 HydrophobicContact SD-CD1 4.36Å; M81-I197 HydrophobicContact SD-CG2 3.95Å
82K97.7Very high97.4Very high132 Ų13241 Ų4157%0.57423%0.225SC*.Hα-helixtrans-62-50.5173.3178.5179.3171.5178.90111.2A78 A79 L80 K85 E86A78-K82 WeakPolarHBondContact O-CB 3.4Å; A78-K82 PolarHBondContact O-N 3.49Å; A79-K82 PolarHBondContact O-N 3.29Å; L80-K82 VanDerWaalsContact C-N 3.3Å; L80-K82 PolarHBondContact O-N 2.84Å; K82-K85 PolarHBondContact O-N 3.23Å; K82-E86 WeakPolarHBondContact CE-OE1 3.44Å; K82-E86 IonicContact NZ-OE1 2.72Å; K82-E86 WeakPolarHBondContact O-CG 3.36Å; K82-E86 PolarHBondContact O-N 3.16Å
83E97.3Very high97.3Very high9 Ų942.3 Ų42.34%0.04223%0.233CC..Hα-helixtrans-64.7-41-178.5-161.7177.2173.800111.6L53 H54 L55 I56 A79 L80 K85 E86 L87L53-E83 WeakPolarHBondContact CA-OE1 3.35Å; L53-E83 VanDerWaalsContact CB-OE1 3.29Å; L53-E83 WeakPolarHBondContact CB-OE1 3.32Å; L53-E83 HydrophobicContact CD2-CG 4.31Å; L53-E83 VanDerWaalsContact CD2-OE1 3.31Å; L53-E83 WeakPolarHBondContact CD2-OE1 3.4Å; H54-E83 PolarHBondContact N-OE1 3.08Å; L55-E83 WeakPolarHBondContact CB-OE2 3.5Å; L55-E83 PolarHBondContact N-OE1 3.37Å; L55-E83 PolarHBondContact N-OE2 2.86Å; I56-E83 HydrophobicContact CD1-CB 4.11Å; I56-E83 HydrophobicContact CD1-CG 3.95Å; I56-E83 HydrophobicContact CG1-CG 4.28Å; I56-E83 PolarHBondContact N-OE1 3.04Å; I56-E83 PolarHBondContact N-OE2 3.26Å; A79-E83 WeakPolarHBondContact O-CB 3.29Å; A79-E83 PolarHBondContact O-N 3.25Å; L80-E83 PolarHBondContact O-N 2.92Å; E83-K85 PolarHBondContact O-N 2.84Å; E83-E86 PolarHBondContact O-N 3.2Å; E83-L87 WeakPolarHBondContact O-CG 3.27Å; E83-L87 PolarHBondContact O-N 2.78Å; E83-L87 VanDerWaalsContact O-N 3.15Å
84M97.9Very high97.2Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-57-50.1172.3-72.8178.36800111.2I56 L80 M81 E86 L87 E88 V94 R95 I197 M201I56-M84 HydrophobicContact CD1-CG 3.94Å; L80-M84 HydrophobicContact CD1-CG 3.97Å; L80-M84 HydrophobicContact CD1-SD 4.18Å; L80-M84 HydrophobicContact CD2-SD 4.48Å; L80-M84 HydrophobicContact CG-CG 4.21Å; L80-M84 HydrophobicContact CG-SD 3.88Å; L80-M84 WeakPolarHBondContact O-CB 3.17Å; L80-M84 VanDerWaalsContact O-CG 3.23Å; L80-M84 WeakPolarHBondContact O-CG 3.36Å; L80-M84 PolarHBondContact O-N 2.97Å; M81-M84 HydrophobicContact CE-CE 4.49Å; M81-M84 HydrophobicContact CE-SD 4.17Å; M81-M84 HydrophobicContact SD-SD 3.86Å; M84-E86 PolarHBondContact O-N 3.28Å; M84-L87 PolarHBondContact O-N 3.32Å; M84-E88 WeakPolarHBondContact O-CB 3.41Å; M84-E88 WeakPolarHBondContact O-CG 3.38Å; M84-E88 PolarHBondContact O-N 2.98Å; M84-V94 HydrophobicContact CB-CG1 4.48Å; M84-V94 HydrophobicContact CE-CG1 4.32Å; M84-V94 HydrophobicContact CG-CG1 3.83Å; M84-R95 HydrophobicContact CE-CG 3.49Å; M84-R95 VanDerWaalsContact CE-CG 3.49Å; M84-I197 HydrophobicContact CE-CG2 4.3Å; M84-M201 HydrophobicContact CE-CE 4.03Å; M84-M201 HydrophobicContact CE-SD 4.05Å; M84-M201 HydrophobicContact SD-CE 3.97Å
85K97.7Very high97.1Very high116 Ų11648.2 Ų48.250%0.50426%0.255SS..Hα-helixtrans-60.1-45.7180176.2165.4175.943.10112M81 K82 E83 L87 E88 D89M81-K85 WeakPolarHBondContact O-CB 3.46Å; M81-K85 PolarHBondContact O-N 3.23Å; K82-K85 PolarHBondContact O-N 3.23Å; E83-K85 PolarHBondContact O-N 2.84Å; K85-L87 PolarHBondContact O-N 2.95Å; K85-E88 PolarHBondContact O-N 3.05Å; K85-D89 WeakPolarHBondContact CE-OD2 3.28Å; K85-D89 IonicContact NZ-OD1 3.37Å; K85-D89 PolarHBondContact NZ-OD1 3.15Å; K85-D89 IonicContact NZ-OD2 2.88Å; K85-D89 PolarHBondContact NZ-OD2 2.77Å; K85-D89 WeakPolarHBondContact O-CB 3.33Å; K85-D89 PolarHBondContact O-N 3.23Å
86E96.1Very high97Very high98 Ų9856.1 Ų56.146%0.45829%0.292SS..Hα-helixtrans-60.3-34.6179.3-73.2175.8-176.400112.4K82 E83 M84 R90K82-E86 WeakPolarHBondContact CE-OE1 3.44Å; K82-E86 IonicContact NZ-OE1 2.72Å; K82-E86 WeakPolarHBondContact O-CG 3.36Å; K82-E86 PolarHBondContact O-N 3.16Å; E83-E86 PolarHBondContact O-N 3.2Å; M84-E86 PolarHBondContact O-N 3.28Å; E86-R90 VanDerWaalsContact O-CD 3.24Å; E86-R90 WeakPolarHBondContact O-CD 3.33Å; E86-R90 WeakPolarHBondContact O-CG 3.33Å
87L96.3Very high97Very high4 Ų457.1 Ų57.12%0.02129%0.294CS..Hα-helixtrans-78.2-43.3175.7-66.7169.3000112.5T51 L53 I56 I60 L61 E83 M84 K85 D89 R90 G91 I92 V94T51-L87 HydrophobicContact CG2-CD2 3.95Å; L53-L87 HydrophobicContact CD2-CD1 3.85Å; L53-L87 HydrophobicContact CD2-CD2 4.01Å; L53-L87 HydrophobicContact CD2-CG 4.37Å; I56-L87 HydrophobicContact CD1-CD1 3.68Å; I56-L87 HydrophobicContact CG2-CD1 4.42Å; I60-L87 HydrophobicContact CG2-CD1 4.07Å; L61-L87 HydrophobicContact CD2-CD2 4.14Å; E83-L87 WeakPolarHBondContact O-CG 3.27Å; E83-L87 PolarHBondContact O-N 2.78Å; E83-L87 VanDerWaalsContact O-N 3.15Å; M84-L87 PolarHBondContact O-N 3.32Å; K85-L87 PolarHBondContact O-N 2.95Å; L87-D89 VanDerWaalsContact C-N 3.35Å; L87-D89 PolarHBondContact O-N 3.06Å; L87-R90 CarbonylContact O-C 3.5Å; L87-R90 WeakPolarHBondContact O-CA 3.33Å; L87-R90 WeakPolarHBondContact O-CB 3.46Å; L87-R90 PolarHBondContact O-N 3.03Å; L87-G91 PolarHBondContact O-N 3.35Å; L87-I92 HydrophobicContact CB-CB 4.19Å; L87-I92 HydrophobicContact CB-CD1 4.2Å; L87-I92 HydrophobicContact CD2-CD1 3.62Å; L87-I92 WeakPolarHBondContact O-CB 3.41Å; L87-I92 PolarHBondContact O-N 3.47Å; L87-I92 VanDerWaalsContact O-N 3.07Å; L87-V94 HydrophobicContact CB-CG2 3.52Å; L87-V94 HydrophobicContact CD1-CG2 3.81Å; L87-V94 HydrophobicContact CG-CG2 4.34Å
88E97.5Very high97Very high56 Ų5656.8 Ų56.826%0.26229%0.291SS..Hα-helixtrans-63.4-39.3178.4-73.9177.4164.900111.4M84 K85 R90 G91 I92 V94 R95M84-E88 WeakPolarHBondContact O-CB 3.41Å; M84-E88 WeakPolarHBondContact O-CG 3.38Å; M84-E88 PolarHBondContact O-N 2.98Å; K85-E88 PolarHBondContact O-N 3.05Å; E88-R90 PolarHBondContact O-N 2.75Å; E88-R90 VanDerWaalsContact O-N 3.16Å; E88-G91 PolarHBondContact O-N 3.38Å; E88-I92 WeakPolarHBondContact CA-O 3.4Å; E88-V94 HydrophobicContact CG-CB 4.28Å; E88-V94 HydrophobicContact CG-CG2 4.18Å; E88-R95 WeakPolarHBondContact OE1-CD 3.43Å; E88-R95 WeakPolarHBondContact OE1-CG 3.17Å; E88-R95 IonicContact OE1-CZ 3.91Å; E88-R95 IonicContact OE1-NE 3.99Å; E88-R95 PolarHBondContact OE1-NE 2.9Å; E88-R95 IonicContact OE1-NH2 3.18Å; E88-R95 IonicContact OE2-CZ 2.74Å; E88-R95 IonicContact OE2-NE 3.92Å; E88-R95 IonicContact OE2-NH2 3.84Å; E88-R95 PolarHBondContact OE2-NH2 3.13Å
89D96.4Very high97Very high112 Ų11255.3 Ų55.360%0.59927%0.273SS*.THydrogen-bonded Turntrans-62.4-20.7174.6-71.9-16000112.2K85 L87K85-D89 WeakPolarHBondContact CE-OD2 3.28Å; K85-D89 IonicContact NZ-OD1 3.37Å; K85-D89 PolarHBondContact NZ-OD1 3.15Å; K85-D89 IonicContact NZ-OD2 2.88Å; K85-D89 PolarHBondContact NZ-OD2 2.77Å; K85-D89 WeakPolarHBondContact O-CB 3.33Å; K85-D89 PolarHBondContact O-N 3.23Å; L87-D89 VanDerWaalsContact C-N 3.35Å; L87-D89 PolarHBondContact O-N 3.06Å
90R93.9Very high97.1Very high94 Ų9454.3 Ų54.336%0.35527%0.265SS..THydrogen-bonded Turntrans-95.85.5174.8-66.3164.860.2-144.7-8.3113E49 T51 E86 L87 E88E49-R90 IonicContact OE1-CZ 2.9Å; E49-R90 IonicContact OE1-NE 2.93Å; E49-R90 PolarHBondContact OE1-NE 3.33Å; E49-R90 IonicContact OE1-NH2 3.65Å; E49-R90 PolarHBondContact OE1-NH2 2.96Å; E49-R90 IonicContact OE2-NH2 2.73Å; E49-R90 PolarHBondContact OE2-NH2 2.89Å; T51-R90 VanDerWaalsContact CG2-NH1 3.34Å; T51-R90 PolarHBondContact OG1-NH1 2.86Å; T51-R90 PolarHBondContact OG1-NH2 3.47Å; E86-R90 VanDerWaalsContact O-CD 3.24Å; E86-R90 WeakPolarHBondContact O-CD 3.33Å; E86-R90 WeakPolarHBondContact O-CG 3.33Å; L87-R90 CarbonylContact O-C 3.5Å; L87-R90 WeakPolarHBondContact O-CA 3.33Å; L87-R90 WeakPolarHBondContact O-CB 3.46Å; L87-R90 PolarHBondContact O-N 3.03Å; E88-R90 PolarHBondContact O-N 2.75Å; E88-R90 VanDerWaalsContact O-N 3.16Å
91G94.7Very high97.1Very high63 Ų6354.8 Ų54.865%0.64927%0.268SS*.THydrogen-bonded Turntrans86.313.5176.900000115L87 E88 P93L87-G91 PolarHBondContact O-N 3.35Å; E88-G91 PolarHBondContact O-N 3.38Å; G91-P93 WeakPolarHBondContact O-CD 3.45Å
92I94.7Very high97.1Very high22 Ų2258.4 Ų58.411%0.11329%0.285CS..  trans-89118.7176.7-61.1154000108.7I60 L61 L87 E88 V94I60-I92 HydrophobicContact CG1-CG2 4.37Å; L61-I92 HydrophobicContact CD2-CD1 3.31Å; L61-I92 HydrophobicContact CD2-CG1 4.22Å; L87-I92 HydrophobicContact CB-CB 4.19Å; L87-I92 HydrophobicContact CB-CD1 4.2Å; L87-I92 HydrophobicContact CD2-CD1 3.62Å; L87-I92 WeakPolarHBondContact O-CB 3.41Å; L87-I92 PolarHBondContact O-N 3.47Å; L87-I92 VanDerWaalsContact O-N 3.07Å; E88-I92 WeakPolarHBondContact CA-O 3.4Å; I92-V94 VanDerWaalsContact C-N 3.29Å; I92-V94 HydrophobicContact CG2-CG2 4.17Å; I92-V94 PolarHBondContact O-N 2.96Å
93P96.8Very high97.2Very high36 Ų3653.4 Ų53.423%0.23427%0.268CS..  trans-79.974.7-175.333-36000111.2G91 R95 E96G91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-R95 PolarHBondContact O-N 3.43Å; P93-E96 HydrophobicContact CB-CB 4.27Å; P93-E96 HydrophobicContact CB-CG 4.15Å; P93-E96 PolarHBondContact O-N 3.35Å; P93-E96 VanDerWaalsContact O-N 3.17Å
94V97.8Very high97.2Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-59.4-44.6-171.5-179.10000112.3I56 I60 M84 L87 E88 I92 E96 R97 L98I56-V94 HydrophobicContact CD1-CG1 3.98Å; I60-V94 HydrophobicContact CD1-CG1 4.08Å; I60-V94 HydrophobicContact CG1-CG1 4.32Å; I60-V94 HydrophobicContact CG1-CG2 4.27Å; M84-V94 HydrophobicContact CB-CG1 4.48Å; M84-V94 HydrophobicContact CE-CG1 4.32Å; M84-V94 HydrophobicContact CG-CG1 3.83Å; L87-V94 HydrophobicContact CB-CG2 3.52Å; L87-V94 HydrophobicContact CD1-CG2 3.81Å; L87-V94 HydrophobicContact CG-CG2 4.34Å; E88-V94 HydrophobicContact CG-CB 4.28Å; E88-V94 HydrophobicContact CG-CG2 4.18Å; I92-V94 VanDerWaalsContact C-N 3.29Å; I92-V94 HydrophobicContact CG2-CG2 4.17Å; I92-V94 PolarHBondContact O-N 2.96Å; V94-E96 PolarHBondContact O-N 2.95Å; V94-R97 PolarHBondContact O-N 3.46Å; V94-L98 HydrophobicContact CG1-CB 3.97Å; V94-L98 HydrophobicContact CG1-CD2 3.98Å; V94-L98 VanDerWaalsContact O-CB 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.32Å; V94-L98 PolarHBondContact O-N 3.38Å
95R96.6Very high97.3Very high124 Ų12453.2 Ų53.247%0.46827%0.268SS..Hα-helixtrans-62.4-22.8-179.3-67173.5-151.9-150.91.8114.2M84 E88 P93M84-R95 HydrophobicContact CE-CG 3.49Å; M84-R95 VanDerWaalsContact CE-CG 3.49Å; E88-R95 WeakPolarHBondContact OE1-CD 3.43Å; E88-R95 WeakPolarHBondContact OE1-CG 3.17Å; E88-R95 IonicContact OE1-CZ 3.91Å; E88-R95 IonicContact OE1-NE 3.99Å; E88-R95 PolarHBondContact OE1-NE 2.9Å; E88-R95 IonicContact OE1-NH2 3.18Å; E88-R95 IonicContact OE2-CZ 2.74Å; E88-R95 IonicContact OE2-NE 3.92Å; E88-R95 IonicContact OE2-NH2 3.84Å; E88-R95 PolarHBondContact OE2-NH2 3.13Å; P93-R95 PolarHBondContact O-N 3.43Å
96E96.6Very high97.3Very high165 Ų16547.8 Ų47.877%0.77124%0.244SC*.Hα-helixtrans-83.1-18.2176.8-62.4178.2-162.200112.2P93 V94P93-E96 HydrophobicContact CB-CB 4.27Å; P93-E96 HydrophobicContact CB-CG 4.15Å; P93-E96 PolarHBondContact O-N 3.35Å; P93-E96 VanDerWaalsContact O-N 3.17Å; V94-E96 PolarHBondContact O-N 2.95Å
97R97.6Very high97.5Very high36 Ų3643.2 Ų43.214%0.13622%0.223CC..Hα-helixtrans-119.2-14-169.9-62-177-171.4168.34.2114I60 R62 E63 T66 S67 V94I60-R97 HydrophobicContact CD1-CB 3.75Å; I60-R97 PolarHBondContact O-NH1 3.22Å; R62-R97 PolarHBondContact O-NH1 2.96Å; E63-R97 VanDerWaalsContact CA-CZ 3.46Å; T66-R97 CarbonylContact C-O 3.53Å; T66-R97 WeakPolarHBondContact CA-O 3.36Å; S67-R97 PolarHBondContact N-O 2.66Å; V94-R97 PolarHBondContact O-N 3.46Å
98L98.7Very high97.6Very high0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-102.9129.4-176.4-175.763.9000111.3I56 I60 S67 I69 L80 V94 L100 M201I56-L98 HydrophobicContact CD1-CD2 4.44Å; I56-L98 HydrophobicContact CG1-CD2 4.25Å; I60-L98 HydrophobicContact CD1-CB 4.18Å; S67-L98 CarbonylContact O-C 3.58Å; S67-L98 WeakPolarHBondContact O-CA 3.32Å; I69-L98 HydrophobicContact CD1-CD1 4.11Å; I69-L98 HydrophobicContact CD1-CD2 4.45Å; I69-L98 HydrophobicContact CG1-CD1 4.13Å; L80-L98 HydrophobicContact CD1-CD2 3.92Å; V94-L98 HydrophobicContact CG1-CB 3.97Å; V94-L98 HydrophobicContact CG1-CD2 3.98Å; V94-L98 VanDerWaalsContact O-CB 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.32Å; V94-L98 PolarHBondContact O-N 3.38Å; L98-L100 HydrophobicContact CD2-CD2 4.37Å; L98-L100 HydrophobicContact CG-CD2 4.31Å; L98-M201 HydrophobicContact CB-SD 4.23Å; L98-M201 HydrophobicContact CD2-SD 4.12Å; L98-M201 HydrophobicContact CG-SD 4.29Å
99L98.8Very high97.6Very high41 Ų4144 Ų4422%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-119.6149.5171.6-55177.6000110.6T66 S67 I68 I69 M201 V203 L208T66-L99 HydrophobicContact CG2-CD1 3.48Å; T66-L99 VanDerWaalsContact CG2-CD1 3.48Å; T66-L99 HydrophobicContact CG2-CG 3.76Å; S67-L99 PolarHBondContact O-N 2.87Å; I68-L99 WeakPolarHBondContact CA-O 3.43Å; I68-L99 HydrophobicContact CG1-CB 4.33Å; I69-L99 PolarHBondContact N-O 3.1Å; L99-M201 CarbonylContact C-O 3.53Å; L99-M201 WeakPolarHBondContact CA-O 3.34Å; L99-V203 HydrophobicContact CB-CG2 3.89Å; L99-V203 HydrophobicContact CD1-CG1 4.17Å; L99-V203 HydrophobicContact CD1-CG2 4.02Å; L99-V203 HydrophobicContact CD2-CG1 3.91Å; L99-V203 HydrophobicContact CG-CG1 4.42Å; L99-V203 HydrophobicContact CG-CG2 4.44Å; L99-L208 HydrophobicContact CD1-CD2 3.67Å
100L98.9Very high97.7Very high0 Ų038.7 Ų38.70%020%0.201CC..EExtended strand (participates in β ladder)trans-121.8143.6-178.6-57.1-176.8000110.8I69 L75 L80 L98 L198 M201 V202 V203I69-L100 HydrophobicContact CB-CD2 3.77Å; I69-L100 HydrophobicContact CD1-CD2 3.66Å; I69-L100 HydrophobicContact CG1-CD2 4.08Å; L75-L100 HydrophobicContact CD1-CD1 4.17Å; L75-L100 HydrophobicContact CD1-CD2 4.02Å; L80-L100 HydrophobicContact CD2-CD1 4.14Å; L80-L100 HydrophobicContact CD2-CD2 4.23Å; L98-L100 HydrophobicContact CD2-CD2 4.37Å; L98-L100 HydrophobicContact CG-CD2 4.31Å; L100-L198 HydrophobicContact CD1-CB 4.39Å; L100-L198 HydrophobicContact CD1-CD2 4.09Å; L100-M201 HydrophobicContact CD1-CB 4.2Å; L100-M201 HydrophobicContact CD1-CE 3.9Å; L100-M201 HydrophobicContact CG-CB 3.96Å; L100-M201 HydrophobicContact CG-CE 4.46Å; L100-M201 PolarHBondContact N-O 3.36Å; L100-V202 HydrophobicContact CB-CG2 4.44Å; L100-V202 WeakPolarHBondContact O-CA 3.36Å; L100-V203 PolarHBondContact O-N 2.71Å
101S98.8Very high98Very high11 Ų1134.3 Ų34.38%0.07718%0.184CC..EExtended strand (participates in β ladder)trans-77.4135.3161.5-178.50000110.5I69 N71 A103 C104I69-S101 PolarHBondContact O-N 3.1Å; N71-S101 WeakPolarHBondContact CB-OG 3.43Å; S101-A103 PolarHBondContact O-N 3.47Å; S101-A103 PolarHBondContact OG-N 3.07Å; S101-A103 VanDerWaalsContact OG-N 3.16Å; S101-C104 PolarHBondContact O-N 3.12Å; S101-C104 PolarHBondContact O-SG 3.36Å; S101-C104 VanDerWaalsContact O-SG 3.41Å
102E98.6Very high98.1Very high107 Ų10733.5 Ų33.550%0.517%0.166SC..THydrogen-bonded Turntrans-59.8-2416963.3173-17900112.9C104 V149 G150 V202E102-C104 VanDerWaalsContact C-N 3.33Å; E102-C104 PolarHBondContact O-N 2.98Å; E102-V149 PolarHBondContact O-N 3.21Å; E102-G150 PolarHBondContact O-N 2.98Å; E102-V202 HydrophobicContact CB-CG1 3.74Å
103A98.7Very high98.3Very high28 Ų2833.8 Ų33.823%0.23117%0.172CC..THydrogen-bonded Turntrans-87.30.6-174.200000113.9N71 S101 P105N71-A103 HydrophobicContact CB-CB 3.65Å; S101-A103 PolarHBondContact O-N 3.47Å; S101-A103 PolarHBondContact OG-N 3.07Å; S101-A103 VanDerWaalsContact OG-N 3.16Å; A103-P105 WeakPolarHBondContact O-CD 3.26Å
104C98.8Very high98.4Very high0 Ų032.1 Ų32.10%016%0.161CC..PPolyproline II helixtrans-60.8120.5171.8-69.40000110.4G70 L75 S101 E102 R148 V149G70-C104 PolarHBondContact O-SG 3.24Å; L75-C104 HydrophobicContact CB-CB 4.21Å; L75-C104 HydrophobicContact CD1-CB 4.47Å; S101-C104 PolarHBondContact O-N 3.12Å; S101-C104 PolarHBondContact O-SG 3.36Å; S101-C104 VanDerWaalsContact O-SG 3.41Å; E102-C104 VanDerWaalsContact C-N 3.33Å; E102-C104 PolarHBondContact O-N 2.98Å; C104-R148 CarbonylContact O-C 3.52Å; C104-R148 WeakPolarHBondContact O-CA 3.3Å; C104-V149 HydrophobicContact CB-CG2 3.82Å; C104-V149 PolarHBondContact O-N 2.88Å
105P98.9Very high98.4Very high5 Ų532.5 Ų32.53%0.03216%0.163CC..BIsolated β-bridgetrans-66.2145.1172.4-13.626.6000111.2V73 V74 L75 A103 K141 L147V73-P105 WeakPolarHBondContact O-CD 3.48Å; V74-P105 CarbonylContact C-O 3.54Å; V74-P105 WeakPolarHBondContact CA-O 3.34Å; V74-P105 HydrophobicContact CG1-CB 4.11Å; V74-P105 HydrophobicContact CG1-CG 4.06Å; L75-P105 PolarHBondContact N-O 3.05Å; A103-P105 WeakPolarHBondContact O-CD 3.26Å; P105-K141 HydrophobicContact CB-CB 4.49Å; P105-K141 HydrophobicContact CG-CB 4.09Å; P105-K141 HydrophobicContact CG-CD 3.81Å; P105-K141 HydrophobicContact CG-CG 4.02Å; P105-L147 CarbonylContact C-O 3.55Å; P105-L147 VanDerWaalsContact CA-O 3.32Å; P105-L147 WeakPolarHBondContact CA-O 3.32Å
106L98.9Very high98.4Very high2 Ų230.5 Ų30.51%0.0116%0.162CC..BIsolated β-bridgetrans-88.2132.6179.4-63.4176.3000111.5L75 P77 L108 H111 L147 V149 L152 F158L75-L106 HydrophobicContact CD2-CD2 4.03Å; L75-L106 CarbonylContact O-C 3.59Å; L75-L106 WeakPolarHBondContact O-CA 3.27Å; P77-L106 HydrophobicContact CG-CD2 4.02Å; L106-L108 HydrophobicContact CB-CD2 4.44Å; L106-L108 HydrophobicContact CB-CG 4.26Å; L106-H111 PolarHBondContact O-CE1 3.38Å; L106-L147 HydrophobicContact CB-CB 4.5Å; L106-L147 HydrophobicContact CD1-CB 4.23Å; L106-L147 PolarHBondContact N-O 3.09Å; L106-V149 HydrophobicContact CD2-CG2 3.76Å; L106-L152 HydrophobicContact CD1-CD1 4.32Å; L106-L152 HydrophobicContact CD1-CD2 4.27Å; L106-L152 HydrophobicContact CD1-CG 4.28Å; L106-F158 HydrophobicContact CD1-CE2 3.81Å; L106-F158 HydrophobicContact CD1-CZ 4.31Å
107I98.9Very high98.4Very high2 Ų223.2 Ų23.21%0.0113%0.13CC..PPolyproline II helixtrans-92118.9163.5-56.2170.2000107.7V74 L75 P77 H111 V112 R132 I134 A137V74-I107 HydrophobicContact CB-CD1 3.93Å; V74-I107 HydrophobicContact CB-CG1 3.87Å; V74-I107 HydrophobicContact CG2-CD1 3.76Å; V74-I107 HydrophobicContact CG2-CG1 4.21Å; V74-I107 WeakPolarHBondContact O-CD1 3.24Å; L75-I107 PolarHBondContact O-N 3.18Å; P77-I107 WeakPolarHBondContact CD-O 3.33Å; I107-H111 HydrophobicContact CG2-CB 4.17Å; I107-V112 HydrophobicContact CG2-CG2 4.45Å; I107-R132 WeakPolarHBondContact CG2-O 3.18Å; I107-I134 HydrophobicContact CD1-CD1 3.7Å; I107-A137 HydrophobicContact CG1-CB 3.76Å
108L98.8Very high98.3Very high8 Ų823.3 Ų23.34%0.04213%0.131CC..  trans-121.4166.9178.9-60.4179000110.3P77 L106 Y110 H111 L147 L162 V187P77-L108 HydrophobicContact CG-CD2 4.47Å; L106-L108 HydrophobicContact CB-CD2 4.44Å; L106-L108 HydrophobicContact CB-CG 4.26Å; L108-Y110 HydrophobicContact CB-CD1 3.91Å; L108-Y110 HydrophobicContact CB-CE1 3.45Å; L108-Y110 VanDerWaalsContact CB-CE1 3.45Å; L108-Y110 HydrophobicContact CD1-CE1 3.66Å; L108-Y110 HydrophobicContact CG-CE1 4.16Å; L108-Y110 PolarHBondContact O-N 2.97Å; L108-Y110 VanDerWaalsContact O-N 3.1Å; L108-H111 PolarHBondContact N-ND1 3.21Å; L108-H111 VanDerWaalsContact O-CB 3.27Å; L108-H111 WeakPolarHBondContact O-CB 3.32Å; L108-H111 PolarHBondContact O-N 3.37Å; L108-H111 PolarHBondContact O-ND1 3.08Å; L108-L147 HydrophobicContact CD1-CD1 3.78Å; L108-L162 HydrophobicContact CD1-CD1 3.59Å; L108-V187 HydrophobicContact CB-CG1 4.16Å; L108-V187 HydrophobicContact CD1-CG1 4.17Å; L108-V187 HydrophobicContact CD2-CG1 4.39Å; L108-V187 HydrophobicContact CG-CG1 4.48Å
109D98.5Very high98Very high69 Ų6924.5 Ų24.537%0.36914%0.136SC..Hα-helixtrans-56.6-33.3-168.4-70.7-0.5000114.4H111 V112 A113 V182 V187D109-H111 VanDerWaalsContact C-N 3.27Å; D109-H111 PolarHBondContact O-N 2.78Å; D109-V112 WeakPolarHBondContact O-CB 3.45Å; D109-V112 PolarHBondContact O-N 3.39Å; D109-V112 VanDerWaalsContact O-N 3.13Å; D109-A113 PolarHBondContact O-N 2.81Å; D109-V182 HydrophobicContact CB-CG1 3.91Å; D109-V187 HydrophobicContact CB-CG2 3.92Å
110Y98.6Very high97.8Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-64.5-30.3175.859.1-97.3000112.9L108 L114 L162 V165 M166 H169L108-Y110 HydrophobicContact CB-CD1 3.91Å; L108-Y110 HydrophobicContact CB-CE1 3.45Å; L108-Y110 VanDerWaalsContact CB-CE1 3.45Å; L108-Y110 HydrophobicContact CD1-CE1 3.66Å; L108-Y110 HydrophobicContact CG-CE1 4.16Å; L108-Y110 PolarHBondContact O-N 2.97Å; L108-Y110 VanDerWaalsContact O-N 3.1Å; Y110-L114 WeakPolarHBondContact O-CB 3.41Å; Y110-L114 WeakPolarHBondContact O-CD1 3.35Å; Y110-L114 WeakPolarHBondContact O-CG 3.39Å; Y110-L114 PolarHBondContact O-N 3.34Å; Y110-L162 HydrophobicContact CE1-CD1 3.88Å; Y110-V165 HydrophobicContact CE1-CG1 4.4Å; Y110-M166 HydrophobicContact CD1-CE 4.42Å; Y110-M166 HydrophobicContact CD1-CG 3.5Å; Y110-M166 HydrophobicContact CD1-SD 4.03Å; Y110-M166 HydrophobicContact CE1-CG 3.7Å; Y110-M166 HydrophobicContact CE1-SD 4.32Å; Y110-M166 HydrophobicContact CG-CG 4.29Å; Y110-H169 HydrophobicContact CD2-CB 4.35Å; Y110-H169 AromaticContact CD2-CD2 3.35Å; Y110-H169 WeakPolarHBondContact CD2-CD2 3.24Å; Y110-H169 AromaticContact CE2-CD2 3.48Å; Y110-H169 VanDerWaalsContact CE2-CD2 3.48Å; Y110-H169 WeakPolarHBondContact CE2-CD2 3.21Å; Y110-H169 AromaticContact CE2-NE2 3.87Å
111H98.8Very high97.5Very high1 Ų134.7 Ų34.71%0.00519%0.192CC..Hα-helixtrans-67.6-40.5172.7-59.9108.1000111.3L106 I107 L108 D109 L114 D115 G133 P136 A137 D140L106-H111 PolarHBondContact O-CE1 3.38Å; I107-H111 HydrophobicContact CG2-CB 4.17Å; L108-H111 PolarHBondContact N-ND1 3.21Å; L108-H111 VanDerWaalsContact O-CB 3.27Å; L108-H111 WeakPolarHBondContact O-CB 3.32Å; L108-H111 PolarHBondContact O-N 3.37Å; L108-H111 PolarHBondContact O-ND1 3.08Å; D109-H111 VanDerWaalsContact C-N 3.27Å; D109-H111 PolarHBondContact O-N 2.78Å; H111-L114 PolarHBondContact O-N 3.39Å; H111-D115 WeakPolarHBondContact O-CB 3.32Å; H111-D115 PolarHBondContact O-N 3.12Å; H111-G133 WeakPolarHBondContact O-CA 3.32Å; H111-P136 HydrophobicContact CB-CB 4.05Å; H111-P136 VanDerWaalsContact CD2-C 3.49Å; H111-A137 PolarHBondContact CD2-N 3.08Å; H111-D140 IonicContact CD2-OD2 3.23Å; H111-D140 IonicContact NE2-OD2 2.77Å; H111-D140 PolarHBondContact NE2-OD2 3.28Å
112V98.4Very high97.1Very high46 Ų4639.4 Ų39.428%0.27921%0.208SC..Hα-helixtrans-64.5-45.4176.3177.80000110.3I107 D109 L114 D115 N116I107-V112 HydrophobicContact CG2-CG2 4.45Å; D109-V112 WeakPolarHBondContact O-CB 3.45Å; D109-V112 PolarHBondContact O-N 3.39Å; D109-V112 VanDerWaalsContact O-N 3.13Å; V112-L114 VanDerWaalsContact C-N 3.35Å; V112-L114 PolarHBondContact O-N 3.14Å; V112-D115 PolarHBondContact O-N 3.12Å; V112-N116 PolarHBondContact O-N 3.12Å; V112-N116 VanDerWaalsContact O-N 3.09Å; V112-N116 PolarHBondContact O-ND2 2.97Å; V112-N116 VanDerWaalsContact O-ND2 3.17Å
113A98.4Very high96.7Very high29 Ų2936.4 Ų36.424%0.2421%0.206CC..Hα-helixtrans-59.1-44.9176.100000111.8D109 A117 L173 V182D109-A113 PolarHBondContact O-N 2.81Å; A113-A117 VanDerWaalsContact O-CB 3.23Å; A113-A117 WeakPolarHBondContact O-CB 3.47Å; A113-A117 PolarHBondContact O-N 2.99Å; A113-L173 HydrophobicContact CB-CD1 3.96Å; A113-L173 HydrophobicContact CB-CD2 4.08Å; A113-V182 HydrophobicContact CB-CG2 3.82Å
114L98.4Very high96Very high0 Ų040.6 Ų40.60%024%0.241CC..Hα-helixtrans-63.9-44.5177.5-75.6165.6000112.9Y110 H111 V112 A117 R118 P136 H169 L173 Y177Y110-L114 WeakPolarHBondContact O-CB 3.41Å; Y110-L114 WeakPolarHBondContact O-CD1 3.35Å; Y110-L114 WeakPolarHBondContact O-CG 3.39Å; Y110-L114 PolarHBondContact O-N 3.34Å; H111-L114 PolarHBondContact O-N 3.39Å; V112-L114 VanDerWaalsContact C-N 3.35Å; V112-L114 PolarHBondContact O-N 3.14Å; L114-A117 PolarHBondContact O-N 3.17Å; L114-R118 VanDerWaalsContact O-CB 3.29Å; L114-R118 WeakPolarHBondContact O-CB 3.37Å; L114-R118 WeakPolarHBondContact O-CD 3.42Å; L114-R118 WeakPolarHBondContact O-CG 3.24Å; L114-R118 PolarHBondContact O-N 2.92Å; L114-P136 HydrophobicContact CB-CB 4.26Å; L114-P136 HydrophobicContact CB-CG 4.01Å; L114-P136 HydrophobicContact CD1-CB 4.42Å; L114-H169 HydrophobicContact CD1-CB 4.06Å; L114-H169 VanDerWaalsContact CD1-ND1 3.34Å; L114-H169 WeakPolarHBondContact CD1-ND1 3.45Å; L114-L173 HydrophobicContact CD2-CD2 3.8Å; L114-L173 HydrophobicContact CD2-CG 3.92Å; L114-L173 HydrophobicContact CG-CD2 4.09Å; L114-L173 HydrophobicContact CG-CG 4.28Å; L114-Y177 HydrophobicContact CD2-CD2 4.42Å; L114-Y177 HydrophobicContact CD2-CE2 4.13Å
115D97.2Very high95.3Very high9 Ų949.3 Ų49.35%0.04828%0.279CS..Hα-helixtrans-58.9-49.6179.1-165.88.8000110.1H111 V112 A117 R118 E119 T129 G131 R132 G133 P136H111-D115 WeakPolarHBondContact O-CB 3.32Å; H111-D115 PolarHBondContact O-N 3.12Å; V112-D115 PolarHBondContact O-N 3.12Å; D115-A117 PolarHBondContact O-N 3.41Å; D115-R118 PolarHBondContact O-N 3.12Å; D115-E119 PolarHBondContact O-N 3.38Å; D115-T129 WeakPolarHBondContact OD1-CB 3.24Å; D115-T129 PolarHBondContact OD1-OG1 2.88Å; D115-T129 PolarHBondContact OD2-OG1 3.25Å; D115-G131 WeakPolarHBondContact OD2-CA 2.93Å; D115-R132 PolarHBondContact OD2-N 2.76Å; D115-G133 PolarHBondContact OD2-N 3.48Å; D115-P136 HydrophobicContact CB-CG 4.07Å
116N97Very high94.5Very high81 Ų8150.5 Ų50.543%0.43329%0.289SS..Hα-helixtrans-64.4-42.4178.2-68-30.8000112.6V112 K120 G131V112-N116 PolarHBondContact O-N 3.12Å; V112-N116 VanDerWaalsContact O-N 3.09Å; V112-N116 PolarHBondContact O-ND2 2.97Å; V112-N116 VanDerWaalsContact O-ND2 3.17Å; N116-K120 WeakPolarHBondContact O-CB 3.43Å; N116-K120 PolarHBondContact O-N 3.34Å; N116-G131 VanDerWaalsContact OD1-CA 3.24Å; N116-G131 WeakPolarHBondContact OD1-CA 3.38Å
117A97.5Very high93.8Very high13 Ų1352.5 Ų52.511%0.10730%0.299CS..Hα-helixtrans-64.2-40.2177.700000112.2A113 L114 D115 A121 L173 Y177A113-A117 VanDerWaalsContact O-CB 3.23Å; A113-A117 WeakPolarHBondContact O-CB 3.47Å; A113-A117 PolarHBondContact O-N 2.99Å; L114-A117 PolarHBondContact O-N 3.17Å; D115-A117 PolarHBondContact O-N 3.41Å; A117-A121 WeakPolarHBondContact O-CB 3.48Å; A117-A121 PolarHBondContact O-N 3.36Å; A117-L173 HydrophobicContact CB-CD2 4.16Å; A117-Y177 HydrophobicContact CB-CD1 4.24Å; A117-Y177 HydrophobicContact CB-CD2 4.17Å; A117-Y177 HydrophobicContact CB-CG 3.87Å
118R95.7Very high93.1Very high38 Ų3854 Ų5414%0.14332%0.315CS..Hα-helixtrans-66.5-47.5178.1-76.9169.2-174.8-134.11.6112L114 D115 K120 A121 R122 E139 Y177L114-R118 VanDerWaalsContact O-CB 3.29Å; L114-R118 WeakPolarHBondContact O-CB 3.37Å; L114-R118 WeakPolarHBondContact O-CD 3.42Å; L114-R118 WeakPolarHBondContact O-CG 3.24Å; L114-R118 PolarHBondContact O-N 2.92Å; D115-R118 PolarHBondContact O-N 3.12Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-K120 PolarHBondContact O-N 3.47Å; R118-A121 PolarHBondContact O-N 3.17Å; R118-R122 WeakPolarHBondContact O-CG 3.41Å; R118-R122 PolarHBondContact O-N 3.24Å; R118-E139 IonicContact CZ-OE1 3.93Å; R118-E139 IonicContact CZ-OE2 3.54Å; R118-E139 VanDerWaalsContact NH1-CD 3.29Å; R118-E139 IonicContact NH1-OE1 2.8Å; R118-E139 PolarHBondContact NH1-OE1 3.32Å; R118-E139 IonicContact NH1-OE2 3.84Å; R118-E139 PolarHBondContact NH1-OE2 2.95Å; R118-E139 IonicContact NH2-OE2 3.56Å; R118-Y177 HydrophobicContact CG-CE1 4.07Å; R118-Y177 HydrophobicContact CG-CE2 4.22Å; R118-Y177 VanDerWaalsContact CG-OH 3.23Å; R118-Y177 WeakPolarHBondContact CG-OH 3.31Å; R118-Y177 PolarHBondContact NE-OH 3.04Å
119E92.4Very high92.5Very high24 Ų2455.5 Ų55.511%0.11233%0.325CS..Hα-helixtrans-62.6-42.2177.5-74.2-68.997.300111.3D115 A121 R122 G123 I127 G128 T129D115-E119 PolarHBondContact O-N 3.38Å; E119-A121 VanDerWaalsContact C-N 3.35Å; E119-A121 PolarHBondContact O-N 3.26Å; E119-R122 PolarHBondContact O-N 3.24Å; E119-R122 IonicContact OE1-NH1 3.98Å; E119-R122 PolarHBondContact OE1-NH1 3.4Å; E119-G123 PolarHBondContact O-N 2.83Å; E119-I127 PolarHBondContact OE1-N 3.12Å; E119-I127 VanDerWaalsContact OE1-N 3.12Å; E119-I127 PolarHBondContact OE2-N 3.23Å; E119-I127 VanDerWaalsContact OE2-N 3.16Å; E119-G128 WeakPolarHBondContact OE2-CA 3.31Å; E119-G128 PolarHBondContact OE2-N 3.28Å; E119-T129 HydrophobicContact CG-CG2 3.95Å; E119-T129 WeakPolarHBondContact CG-OG1 3.33Å; E119-T129 PolarHBondContact OE2-N 3.14Å; E119-T129 VanDerWaalsContact OE2-N 3.12Å
120K94.5Very high91.9Very high184 Ų18455.3 Ų55.380%0.833%0.326SS*.Hα-helixtrans-58.3-45.3173.2-175.5-178.3178.7-176.10111.9N116 R118 R122 G123N116-K120 WeakPolarHBondContact O-CB 3.43Å; N116-K120 PolarHBondContact O-N 3.34Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-K120 PolarHBondContact O-N 3.47Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 3.04Å; K120-G123 PolarHBondContact O-N 3.34Å
121A92.8Very high91.5Very high72 Ų7256 Ų5660%0.59533%0.333SS*.Hα-helixtrans-67.2-28.3-178.900000113.5A117 R118 E119 G123 Y177A117-A121 WeakPolarHBondContact O-CB 3.48Å; A117-A121 PolarHBondContact O-N 3.36Å; R118-A121 PolarHBondContact O-N 3.17Å; E119-A121 VanDerWaalsContact C-N 3.35Å; E119-A121 PolarHBondContact O-N 3.26Å; A121-G123 VanDerWaalsContact C-N 3.34Å; A121-Y177 HydrophobicContact CB-CD1 4.14Å; A121-Y177 HydrophobicContact CB-CE1 4.11Å
122R89.7Confident91.3Very high109 Ų10960.9 Ų60.941%0.41135%0.352SS..Hα-helixtrans-75.9-20.3176.7-72.5172.6177.4161.2-4.9113.5R118 E119 K120 A124 K125R118-R122 WeakPolarHBondContact O-CG 3.41Å; R118-R122 PolarHBondContact O-N 3.24Å; E119-R122 PolarHBondContact O-N 3.24Å; E119-R122 IonicContact OE1-NH1 3.98Å; E119-R122 PolarHBondContact OE1-NH1 3.4Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 3.04Å; R122-A124 PolarHBondContact O-N 3.14Å; R122-K125 PolarHBondContact O-N 3.04Å
123G89.8Confident91.2Very high45 Ų4558.7 Ų58.746%0.46434%0.338SS..G310 helixtrans54-121.7178.200000112.3E119 K120 A121 K125 A126E119-G123 PolarHBondContact O-N 2.83Å; K120-G123 PolarHBondContact O-N 3.34Å; A121-G123 VanDerWaalsContact C-N 3.34Å; G123-K125 PolarHBondContact O-N 2.97Å; G123-K125 VanDerWaalsContact O-N 3.11Å; G123-A126 VanDerWaalsContact O-CB 3.26Å; G123-A126 WeakPolarHBondContact O-CB 3.25Å; G123-A126 PolarHBondContact O-N 2.84Å
124A84.1Confident91.2Very high116 Ų11657.6 Ų57.696%0.95933%0.328SS*.G310 helixtrans-63.6-15.7179.800000114.5R122R122-A124 PolarHBondContact O-N 3.14Å
125K83.3Confident91.1Very high183 Ų18358.1 Ų58.180%0.79633%0.334SS*.G310 helixtrans-98.515.3176.1-60.1-176.9179.8-1780112.7R122 G123R122-K125 PolarHBondContact O-N 3.04Å; G123-K125 PolarHBondContact O-N 2.97Å; G123-K125 VanDerWaalsContact O-N 3.11Å
126A83.6Confident91.1Very high30 Ų3057.9 Ų57.925%0.24833%0.333CS..  trans-55.3140.3174.200000110.2G123 G128G123-A126 VanDerWaalsContact O-CB 3.26Å; G123-A126 WeakPolarHBondContact O-CB 3.25Å; G123-A126 PolarHBondContact O-N 2.84Å; A126-G128 PolarHBondContact O-N 3.01Å
127I83.1Confident91.2Very high43 Ų4354 Ų5422%0.22131%0.312CS..  trans-71.5-29.5178.8-63.8-179000109.5E119 T129E119-I127 PolarHBondContact OE1-N 3.12Å; E119-I127 VanDerWaalsContact OE1-N 3.12Å; E119-I127 PolarHBondContact OE2-N 3.23Å; E119-I127 VanDerWaalsContact OE2-N 3.16Å; I127-T129 HydrophobicContact CB-CG2 4.24Å; I127-T129 HydrophobicContact CG2-CG2 4.45Å
128G84.5Confident91.3Very high33 Ų3354.4 Ų54.434%0.3431%0.311SS..  trans86.643.1-171.200000111.4E119 A126E119-G128 WeakPolarHBondContact OE2-CA 3.31Å; E119-G128 PolarHBondContact OE2-N 3.28Å; A126-G128 PolarHBondContact O-N 3.01Å
129T85.7Confident91.4Very high41 Ų4156.2 Ų56.225%0.25232%0.321SS..  trans-62.2169.1177.779.70000111.1D115 E119 I127 G131D115-T129 WeakPolarHBondContact OD1-CB 3.24Å; D115-T129 PolarHBondContact OD1-OG1 2.88Å; D115-T129 PolarHBondContact OD2-OG1 3.25Å; E119-T129 HydrophobicContact CG-CG2 3.95Å; E119-T129 WeakPolarHBondContact CG-OG1 3.33Å; E119-T129 PolarHBondContact OE2-N 3.14Å; E119-T129 VanDerWaalsContact OE2-N 3.12Å; I127-T129 HydrophobicContact CB-CG2 4.24Å; I127-T129 HydrophobicContact CG2-CG2 4.45Å; T129-G131 PolarHBondContact O-N 3.43Å; T129-G131 PolarHBondContact OG1-N 3.41Å
130T85.5Confident91.7Very high64 Ų6455.1 Ų55.139%0.39332%0.316SS..  trans-79-517755.80000113.3N39 R132N39-T130 HydrophobicContact CB-CG2 3.97Å; T130-R132 VanDerWaalsContact C-N 3.26Å; T130-R132 PolarHBondContact O-N 3.01Å; T130-R132 WeakPolarHBondContact OG1-CB 3.09Å; T130-R132 WeakPolarHBondContact OG1-CG 3.27Å
131G91.3Very high91.9Very high15 Ų1550 Ų5016%0.15529%0.294CS..SBendtrans64.132.5-176.300000112.7D115 N116 T129D115-G131 WeakPolarHBondContact OD2-CA 2.93Å; N116-G131 VanDerWaalsContact OD1-CA 3.24Å; N116-G131 WeakPolarHBondContact OD1-CA 3.38Å; T129-G131 PolarHBondContact O-N 3.43Å; T129-G131 PolarHBondContact OG1-N 3.41Å
132R94.4Very high92.2Very high103 Ų10351.6 Ų51.639%0.38930%0.296SS..SBendtrans-112.20.8-171.6-65.7-56.9-173.6160.2-0.6113.2H38 I107 D115 T130 I134H38-R132 PolarHBondContact CE1-O 3.48Å; H38-R132 WeakPolarHBondContact NE2-CB 3.49Å; H38-R132 WeakPolarHBondContact NE2-CD 3.44Å; I107-R132 WeakPolarHBondContact CG2-O 3.18Å; D115-R132 PolarHBondContact OD2-N 2.76Å; T130-R132 VanDerWaalsContact C-N 3.26Å; T130-R132 PolarHBondContact O-N 3.01Å; T130-R132 WeakPolarHBondContact OG1-CB 3.09Å; T130-R132 WeakPolarHBondContact OG1-CG 3.27Å; R132-I134 HydrophobicContact CB-CG1 4.21Å
133G97.2Very high92.6Very high0 Ų048 Ų480%029%0.29CS..SBendtrans80.812178.300000114.9H111 D115 A137H111-G133 WeakPolarHBondContact O-CA 3.32Å; D115-G133 PolarHBondContact OD2-N 3.48Å; G133-A137 WeakPolarHBondContact O-CB 3.24Å; G133-A137 PolarHBondContact O-N 3.06Å
134I96.8Very high93Very high6 Ų655.5 Ų55.53%0.03130%0.304CS..Hα-helixtrans-60.4-53.3-178.2-55.1-65.2000111.1N39 V74 I107 R132 A137 Y138N39-I134 HydrophobicContact CB-CD1 3.98Å; N39-I134 HydrophobicContact CB-CG1 3.76Å; V74-I134 HydrophobicContact CG2-CD1 3.93Å; V74-I134 HydrophobicContact CG2-CG2 4.05Å; I107-I134 HydrophobicContact CD1-CD1 3.7Å; R132-I134 HydrophobicContact CB-CG1 4.21Å; I134-A137 PolarHBondContact O-N 3Å; I134-Y138 HydrophobicContact CG2-CD2 3.83Å; I134-Y138 HydrophobicContact CG2-CE2 3.71Å; I134-Y138 VanDerWaalsContact O-CD2 3.28Å; I134-Y138 WeakPolarHBondContact O-CD2 3.45Å; I134-Y138 PolarHBondContact O-N 2.97Å; I134-Y138 VanDerWaalsContact O-N 3.12Å
135G96.7Very high93.7Very high11 Ų1153.6 Ų53.611%0.11327%0.272CS..Hα-helixtrans-59.8-55.7-178.800000112.2A137 Y138 E139 S241G135-A137 VanDerWaalsContact C-N 3.27Å; G135-A137 PolarHBondContact O-N 3Å; G135-Y138 PolarHBondContact O-N 3.23Å; G135-E139 PolarHBondContact O-N 2.75Å; G135-S241 WeakPolarHBondContact CA-OG 3.33Å
136P98.4Very high94.4Very high4 Ų445.9 Ų45.93%0.02624%0.244CC..Hα-helixtrans-54.7-38.4176.7-30.537.9000114.2H111 L114 D115 E139 D140H111-P136 HydrophobicContact CB-CB 4.05Å; H111-P136 VanDerWaalsContact CD2-C 3.49Å; L114-P136 HydrophobicContact CB-CB 4.26Å; L114-P136 HydrophobicContact CB-CG 4.01Å; L114-P136 HydrophobicContact CD1-CB 4.42Å; D115-P136 HydrophobicContact CB-CG 4.07Å; P136-E139 WeakPolarHBondContact O-CB 3.47Å; P136-E139 PolarHBondContact O-N 3Å; P136-D140 PolarHBondContact O-N 3.3Å
137A98.8Very high95.1Very high1 Ų144.6 Ų44.61%0.00823%0.234CC..Hα-helixtrans-66.9-38.2177.300000112.7V74 I107 H111 G133 I134 G135 D140 K141V74-A137 HydrophobicContact CB-CB 4.17Å; V74-A137 HydrophobicContact CG1-CB 3.99Å; I107-A137 HydrophobicContact CG1-CB 3.76Å; H111-A137 PolarHBondContact CD2-N 3.08Å; G133-A137 WeakPolarHBondContact O-CB 3.24Å; G133-A137 PolarHBondContact O-N 3.06Å; I134-A137 PolarHBondContact O-N 3Å; G135-A137 VanDerWaalsContact C-N 3.27Å; G135-A137 PolarHBondContact O-N 3Å; A137-D140 PolarHBondContact O-N 3.28Å; A137-K141 PolarHBondContact O-N 3.03Å
138Y98.6Very high95.9Very high20 Ų2048.2 Ų48.28%0.07825%0.245CC..Hα-helixtrans-67.3-36.8171.4-79.5-63.5000112.4G36 G72 V74 I134 G135 D140 K141 V142 S241G36-Y138 WeakPolarHBondContact CA-OH 3.47Å; G36-Y138 PolarHBondContact N-OH 3.3Å; G36-Y138 PolarHBondContact O-OH 3.48Å; G72-Y138 PolarHBondContact O-OH 2.92Å; V74-Y138 HydrophobicContact CB-CE2 4.5Å; V74-Y138 HydrophobicContact CG1-CD1 3.89Å; V74-Y138 HydrophobicContact CG1-CD2 4.07Å; V74-Y138 HydrophobicContact CG1-CE1 3.71Å; V74-Y138 HydrophobicContact CG1-CE2 3.93Å; V74-Y138 HydrophobicContact CG1-CG 4.07Å; V74-Y138 HydrophobicContact CG2-CD2 4.2Å; V74-Y138 HydrophobicContact CG2-CE2 3.67Å; I134-Y138 HydrophobicContact CG2-CD2 3.83Å; I134-Y138 HydrophobicContact CG2-CE2 3.71Å; I134-Y138 VanDerWaalsContact O-CD2 3.28Å; I134-Y138 WeakPolarHBondContact O-CD2 3.45Å; I134-Y138 PolarHBondContact O-N 2.97Å; I134-Y138 VanDerWaalsContact O-N 3.12Å; G135-Y138 PolarHBondContact O-N 3.23Å; Y138-D140 VanDerWaalsContact C-N 3.34Å; Y138-D140 PolarHBondContact O-N 3.4Å; Y138-K141 HydrophobicContact CD1-CD 4.25Å; Y138-K141 WeakPolarHBondContact O-CB 3.3Å; Y138-K141 PolarHBondContact O-N 3.43Å; Y138-V142 WeakPolarHBondContact O-CG2 3.35Å; Y138-V142 PolarHBondContact O-N 3.12Å; Y138-S241 WeakPolarHBondContact CD2-O 3.35Å
139E98.6Very high96.6Very high77 Ų7746.7 Ų46.736%0.3623%0.228SC..Hα-helixtrans-59.3-45.6172.9-68.8175.8-138.500111R118 G135 P136 V142 A143R118-E139 IonicContact CZ-OE1 3.93Å; R118-E139 IonicContact CZ-OE2 3.54Å; R118-E139 VanDerWaalsContact NH1-CD 3.29Å; R118-E139 IonicContact NH1-OE1 2.8Å; R118-E139 PolarHBondContact NH1-OE1 3.32Å; R118-E139 IonicContact NH1-OE2 3.84Å; R118-E139 PolarHBondContact NH1-OE2 2.95Å; R118-E139 IonicContact NH2-OE2 3.56Å; G135-E139 PolarHBondContact O-N 2.75Å; P136-E139 WeakPolarHBondContact O-CB 3.47Å; P136-E139 PolarHBondContact O-N 3Å; E139-V142 PolarHBondContact O-N 2.82Å; E139-A143 VanDerWaalsContact O-CB 3.31Å; E139-A143 WeakPolarHBondContact O-CB 3.11Å; E139-A143 PolarHBondContact O-N 3.22Å
140D98.8Very high97.2Very high1 Ų145.7 Ų45.71%0.00523%0.227CC..Hα-helixtrans-66-38.5179.2-83.420.2000112.5H111 P136 A137 Y138 A143 R144 R145 G146 H169H111-D140 IonicContact CD2-OD2 3.23Å; H111-D140 IonicContact NE2-OD2 2.77Å; H111-D140 PolarHBondContact NE2-OD2 3.28Å; P136-D140 PolarHBondContact O-N 3.3Å; A137-D140 PolarHBondContact O-N 3.28Å; Y138-D140 VanDerWaalsContact C-N 3.34Å; Y138-D140 PolarHBondContact O-N 3.4Å; D140-A143 PolarHBondContact O-N 3.48Å; D140-R144 PolarHBondContact O-N 3Å; D140-R145 HydrophobicContact CB-CG 4.2Å; D140-R145 PolarHBondContact O-N 2.91Å; D140-R145 VanDerWaalsContact O-N 3.16Å; D140-R145 IonicContact OD1-CZ 3.09Å; D140-R145 IonicContact OD1-NE 2.76Å; D140-R145 PolarHBondContact OD1-NE 3.12Å; D140-R145 IonicContact OD1-NH2 3.65Å; D140-R145 PolarHBondContact OD1-NH2 3.02Å; D140-R145 IonicContact OD2-NE 3.85Å; D140-G146 PolarHBondContact O-N 3.23Å; D140-G146 VanDerWaalsContact O-N 3.12Å; D140-H169 VanDerWaalsContact CG-NE2 3.34Å; D140-H169 IonicContact OD1-CE1 2.96Å; D140-H169 PolarHBondContact OD1-CE1 2.99Å; D140-H169 VanDerWaalsContact OD1-CE1 3.22Å; D140-H169 IonicContact OD1-NE2 3.44Å; D140-H169 PolarHBondContact OD1-NE2 3.41Å; D140-H169 VanDerWaalsContact OD1-NE2 3.15Å; D140-H169 IonicContact OD2-CD2 3.15Å; D140-H169 IonicContact OD2-CE1 3.22Å; D140-H169 IonicContact OD2-NE2 2.66Å; D140-H169 PolarHBondContact OD2-NE2 3.39Å
141K98.7Very high97.8Very high75 Ų7544.2 Ų44.233%0.32622%0.216SC..Hα-helixtrans-57.5-52.7170.3178.6-169.9-177.4169.10110.6P105 A137 Y138 A143 R144P105-K141 HydrophobicContact CB-CB 4.49Å; P105-K141 HydrophobicContact CG-CB 4.09Å; P105-K141 HydrophobicContact CG-CD 3.81Å; P105-K141 HydrophobicContact CG-CG 4.02Å; A137-K141 PolarHBondContact O-N 3.03Å; Y138-K141 HydrophobicContact CD1-CD 4.25Å; Y138-K141 WeakPolarHBondContact O-CB 3.3Å; Y138-K141 PolarHBondContact O-N 3.43Å; K141-A143 VanDerWaalsContact C-N 3.26Å; K141-A143 PolarHBondContact O-N 3.03Å; K141-R144 PolarHBondContact O-N 3.49Å; K141-R144 VanDerWaalsContact O-N 3.09Å
142V98.7Very high98.2Very high106 Ų10643.6 Ų43.664%0.64221%0.209SC*.Hα-helixtrans-64.5-32.2-178.9171.60000111.6Y138 E139 R144Y138-V142 WeakPolarHBondContact O-CG2 3.35Å; Y138-V142 PolarHBondContact O-N 3.12Å; E139-V142 PolarHBondContact O-N 2.82Å; V142-R144 VanDerWaalsContact C-N 3.31Å; V142-R144 WeakPolarHBondContact O-CD 3.43Å; V142-R144 PolarHBondContact O-NH1 3.36Å
143A98.5Very high98.3Very high34 Ų3444.4 Ų44.428%0.28122%0.216SC..Hα-helixtrans-79.7-9.1176.500000114.1E139 D140 K141 R145E139-A143 VanDerWaalsContact O-CB 3.31Å; E139-A143 WeakPolarHBondContact O-CB 3.11Å; E139-A143 PolarHBondContact O-N 3.22Å; D140-A143 PolarHBondContact O-N 3.48Å; K141-A143 VanDerWaalsContact C-N 3.26Å; K141-A143 PolarHBondContact O-N 3.03Å; A143-R145 HydrophobicContact CB-CG 4.06Å; A143-R145 PolarHBondContact O-N 3.03Å
144R98.4Very high98.4Very high203 Ų20348.1 Ų48.177%0.76624%0.236SC*.THydrogen-bonded Turntrans57.731.6-175.2-56.478.558-166.12.9112.9D140 K141 V142D140-R144 PolarHBondContact O-N 3Å; K141-R144 PolarHBondContact O-N 3.49Å; K141-R144 VanDerWaalsContact O-N 3.09Å; V142-R144 VanDerWaalsContact C-N 3.31Å; V142-R144 WeakPolarHBondContact O-CD 3.43Å; V142-R144 PolarHBondContact O-NH1 3.36Å
145R98.5Very high98.5Very high75 Ų7552.1 Ų52.128%0.28325%0.253SS..  trans-110.4-13.3171.970.8-179.9173.3-105.5-10.4113D140 A143 V165D140-R145 HydrophobicContact CB-CG 4.2Å; D140-R145 PolarHBondContact O-N 2.91Å; D140-R145 VanDerWaalsContact O-N 3.16Å; D140-R145 IonicContact OD1-CZ 3.09Å; D140-R145 IonicContact OD1-NE 2.76Å; D140-R145 PolarHBondContact OD1-NE 3.12Å; D140-R145 IonicContact OD1-NH2 3.65Å; D140-R145 PolarHBondContact OD1-NH2 3.02Å; D140-R145 IonicContact OD2-NE 3.85Å; A143-R145 HydrophobicContact CB-CG 4.06Å; A143-R145 PolarHBondContact O-N 3.03Å; R145-V165 HydrophobicContact CB-CG2 4.41Å; R145-V165 HydrophobicContact CG-CG2 4.12Å
146G98Very high98.6Very high21 Ų2159.1 Ų59.122%0.21628%0.283CS..  trans-71.4156.6179.800000112.7D140D140-G146 PolarHBondContact O-N 3.23Å; D140-G146 VanDerWaalsContact O-N 3.12Å
147L98.8Very high98.5Very high4 Ų461.1 Ų61.12%0.02130%0.295CS..  trans-90.4153.1173.6-66.4162.2000110.7P105 L106 L108 D151 F158 K161 L162 V165P105-L147 CarbonylContact C-O 3.55Å; P105-L147 VanDerWaalsContact CA-O 3.32Å; P105-L147 WeakPolarHBondContact CA-O 3.32Å; L106-L147 HydrophobicContact CB-CB 4.5Å; L106-L147 HydrophobicContact CD1-CB 4.23Å; L106-L147 PolarHBondContact N-O 3.09Å; L108-L147 HydrophobicContact CD1-CD1 3.78Å; L147-D151 WeakPolarHBondContact CA-OD2 3.48Å; L147-D151 HydrophobicContact CD2-CB 4.31Å; L147-F158 HydrophobicContact CB-CE2 4.23Å; L147-F158 HydrophobicContact CD1-CE2 3.8Å; L147-F158 HydrophobicContact CD1-CZ 3.87Å; L147-F158 HydrophobicContact CD2-CD2 4.07Å; L147-F158 HydrophobicContact CD2-CE2 4.06Å; L147-F158 HydrophobicContact CG-CE2 4.26Å; L147-K161 HydrophobicContact CD2-CB 3.51Å; L147-K161 HydrophobicContact CD2-CD 4.08Å; L147-K161 HydrophobicContact CD2-CG 4.45Å; L147-L162 HydrophobicContact CD1-CB 3.99Å; L147-L162 HydrophobicContact CD1-CD1 3.7Å; L147-L162 HydrophobicContact CD1-CG 4.47Å; L147-V165 HydrophobicContact CD1-CG1 4.43Å
148R98.8Very high98.5Very high119 Ų11961 Ų6145%0.44929%0.294SS..BIsolated β-bridgetrans-125165.8176.2-51.3-175.5-163.4-179.85.2111C104 G150 D151C104-R148 CarbonylContact O-C 3.52Å; C104-R148 WeakPolarHBondContact O-CA 3.3Å; R148-G150 PolarHBondContact O-N 3.17Å; R148-D151 PolarHBondContact N-OD2 3Å; R148-D151 WeakPolarHBondContact O-CB 3.45Å; R148-D151 PolarHBondContact O-N 2.62Å
149V98.8Very high98.5Very high0 Ų061 Ų610%030%0.298CS..G310 helixtrans-54.8-38.6175.11740000111.4L75 E102 C104 L106 D151 L152 V202L75-V149 HydrophobicContact CD1-CG2 4.13Å; L75-V149 HydrophobicContact CD2-CG2 4.48Å; E102-V149 PolarHBondContact O-N 3.21Å; C104-V149 HydrophobicContact CB-CG2 3.82Å; C104-V149 PolarHBondContact O-N 2.88Å; L106-V149 HydrophobicContact CD2-CG2 3.76Å; V149-D151 PolarHBondContact O-N 2.72Å; V149-L152 VanDerWaalsContact O-CB 3.22Å; V149-L152 WeakPolarHBondContact O-CB 3.27Å; V149-L152 WeakPolarHBondContact O-CG 3.32Å; V149-L152 PolarHBondContact O-N 3.42Å; V149-V202 HydrophobicContact CG1-CG2 3.57Å
150G98.4Very high98.5Very high21 Ų2163.9 Ų63.922%0.21631%0.312CS..G310 helixtrans-63.6-25.1178.200000114.3E102 R148 L152 F153E102-G150 PolarHBondContact O-N 2.98Å; R148-G150 PolarHBondContact O-N 3.17Å; G150-L152 PolarHBondContact O-N 3.45Å; G150-F153 WeakPolarHBondContact O-CD2 3.44Å; G150-F153 PolarHBondContact O-N 3.47Å
151D98.7Very high98.5Very high33 Ų3367.9 Ų67.918%0.17633%0.329CS..G310 helixtrans-66.5-20.2174.8-64.8-60.1000111.7L147 R148 V149 F153 D154 F158 K161L147-D151 WeakPolarHBondContact CA-OD2 3.48Å; L147-D151 HydrophobicContact CD2-CB 4.31Å; R148-D151 PolarHBondContact N-OD2 3Å; R148-D151 WeakPolarHBondContact O-CB 3.45Å; R148-D151 PolarHBondContact O-N 2.62Å; V149-D151 PolarHBondContact O-N 2.72Å; D151-F153 PolarHBondContact O-N 3.29Å; D151-D154 PolarHBondContact O-N 2.91Å; D151-F158 HydrophobicContact CB-CD2 3.86Å; D151-K161 IonicContact OD1-NZ 2.67Å; D151-K161 PolarHBondContact OD1-NZ 3.34Å
152L98.6Very high98.5Very high1 Ų164.3 Ų64.31%0.00531%0.314CS..G310 helixtrans-71.8-13.4-179.9-60.2170.8000113.9L106 V149 G150 D154 F158 T191 M192 A195 L198 T199L106-L152 HydrophobicContact CD1-CD1 4.32Å; L106-L152 HydrophobicContact CD1-CD2 4.27Å; L106-L152 HydrophobicContact CD1-CG 4.28Å; V149-L152 VanDerWaalsContact O-CB 3.22Å; V149-L152 WeakPolarHBondContact O-CB 3.27Å; V149-L152 WeakPolarHBondContact O-CG 3.32Å; V149-L152 PolarHBondContact O-N 3.42Å; G150-L152 PolarHBondContact O-N 3.45Å; L152-D154 VanDerWaalsContact C-N 3.29Å; L152-F158 HydrophobicContact CD2-CD2 3.69Å; L152-F158 HydrophobicContact CD2-CE1 4.36Å; L152-F158 HydrophobicContact CD2-CE2 3.45Å; L152-F158 VanDerWaalsContact CD2-CE2 3.45Å; L152-F158 HydrophobicContact CD2-CG 4.26Å; L152-F158 HydrophobicContact CD2-CZ 3.83Å; L152-F158 HydrophobicContact CG-CD2 4.43Å; L152-F158 HydrophobicContact CG-CE2 4.31Å; L152-T191 HydrophobicContact CD2-CG2 3.7Å; L152-M192 HydrophobicContact CD2-CE 4.05Å; L152-A195 HydrophobicContact CB-CB 4.38Å; L152-A195 HydrophobicContact CD2-CB 4.27Å; L152-L198 HydrophobicContact CD1-CB 4.24Å; L152-L198 HydrophobicContact CD1-CD1 3.8Å; L152-T199 HydrophobicContact CB-CG2 3.74Å
153F98.5Very high98.5Very high121 Ų12164.2 Ų64.253%0.53131%0.305SS..G310 helixtrans-68.6-30.4174.4-78-78000112.4G150 D151 T199 V202G150-F153 WeakPolarHBondContact O-CD2 3.44Å; G150-F153 PolarHBondContact O-N 3.47Å; D151-F153 PolarHBondContact O-N 3.29Å; F153-T199 HydrophobicContact CD1-CG2 4.22Å; F153-T199 HydrophobicContact CD2-CG2 4.21Å; F153-T199 HydrophobicContact CE1-CG2 4.2Å; F153-T199 HydrophobicContact CE2-CG2 4.18Å; F153-T199 HydrophobicContact CG-CG2 4.23Å; F153-T199 HydrophobicContact CZ-CG2 4.17Å; F153-V202 HydrophobicContact CE2-CB 4.25Å; F153-V202 HydrophobicContact CE2-CG1 4.02Å; F153-V202 HydrophobicContact CE2-CG2 4.26Å; F153-V202 HydrophobicContact CZ-CB 4.05Å; F153-V202 HydrophobicContact CZ-CG1 4.12Å; F153-V202 HydrophobicContact CZ-CG2 4.37Å
154D98.4Very high98.5Very high78 Ų7869.6 Ų69.642%0.41732%0.324SS..SBendtrans-113.293.9176.1-176.9-13.5000109.6D151 L152 E156 T157 F158D151-D154 PolarHBondContact O-N 2.91Å; L152-D154 VanDerWaalsContact C-N 3.29Å; D154-E156 VanDerWaalsContact C-N 3.27Å; D154-E156 PolarHBondContact O-N 2.85Å; D154-E156 PolarHBondContact OD1-N 3.48Å; D154-T157 VanDerWaalsContact CG-CB 3.46Å; D154-T157 PolarHBondContact O-N 3.07Å; D154-T157 PolarHBondContact OD1-N 2.92Å; D154-T157 VanDerWaalsContact OD1-N 3.08Å; D154-T157 PolarHBondContact OD1-OG1 3.32Å; D154-T157 VanDerWaalsContact OD2-CB 3.3Å; D154-T157 WeakPolarHBondContact OD2-CB 3.41Å; D154-T157 PolarHBondContact OD2-OG1 3.35Å; D154-F158 VanDerWaalsContact O-CB 3.28Å; D154-F158 WeakPolarHBondContact O-CB 3.49Å; D154-F158 PolarHBondContact O-N 3.44Å
155K98.3Very high98.6Very high89 Ų8960.2 Ų60.239%0.38729%0.289SS..Hα-helixtrans-64.1-31.4-174.6-61.4-176.8-178.9-179.30112.7A159 M192 D196K155-A159 PolarHBondContact O-N 3.22Å; K155-A159 VanDerWaalsContact O-N 3.16Å; K155-M192 HydrophobicContact CB-SD 4.04Å; K155-M192 HydrophobicContact CD-SD 4.08Å; K155-M192 HydrophobicContact CG-SD 3.89Å; K155-D196 VanDerWaalsContact CE-OD1 3.28Å; K155-D196 WeakPolarHBondContact CE-OD1 3.19Å; K155-D196 IonicContact NZ-OD1 3.74Å; K155-D196 PolarHBondContact NZ-OD1 2.87Å; K155-D196 IonicContact NZ-OD2 2.74Å; K155-D196 PolarHBondContact NZ-OD2 3.32Å; K155-D196 VanDerWaalsContact NZ-OD2 3.15Å
156E98.3Very high98.6Very high159 Ų15956.8 Ų56.874%0.74328%0.276SS*.Hα-helixtrans-70.9-54.2178.8-66.8-178.7178.800109.7D154 F158 A159 E160D154-E156 VanDerWaalsContact C-N 3.27Å; D154-E156 PolarHBondContact O-N 2.85Å; D154-E156 PolarHBondContact OD1-N 3.48Å; E156-F158 VanDerWaalsContact C-N 3.26Å; E156-F158 PolarHBondContact O-N 3.39Å; E156-A159 PolarHBondContact O-N 2.87Å; E156-A159 VanDerWaalsContact O-N 3.1Å; E156-E160 PolarHBondContact O-N 2.92Å
157T98.1Very high98.6Very high45 Ų4561.4 Ų61.428%0.27629%0.292SS..Hα-helixtrans-62.1-34.8177.7-610000111.8D154 E160 K161D154-T157 VanDerWaalsContact CG-CB 3.46Å; D154-T157 PolarHBondContact O-N 3.07Å; D154-T157 PolarHBondContact OD1-N 2.92Å; D154-T157 VanDerWaalsContact OD1-N 3.08Å; D154-T157 PolarHBondContact OD1-OG1 3.32Å; D154-T157 VanDerWaalsContact OD2-CB 3.3Å; D154-T157 WeakPolarHBondContact OD2-CB 3.41Å; D154-T157 PolarHBondContact OD2-OG1 3.35Å; T157-E160 PolarHBondContact O-N 2.72Å; T157-K161 HydrophobicContact CG2-CD 3.99Å; T157-K161 HydrophobicContact CG2-CG 4.36Å; T157-K161 WeakPolarHBondContact O-CG 3.39Å; T157-K161 PolarHBondContact O-N 2.94Å
158F98.7Very high98.6Very high0 Ų067 Ų670%031%0.314CS..Hα-helixtrans-60-47.3173.7-178.4-88000111.8L106 L147 D151 L152 D154 E156 E160 K161 L162 L188 T191 M192L106-F158 HydrophobicContact CD1-CE2 3.81Å; L106-F158 HydrophobicContact CD1-CZ 4.31Å; L147-F158 HydrophobicContact CB-CE2 4.23Å; L147-F158 HydrophobicContact CD1-CE2 3.8Å; L147-F158 HydrophobicContact CD1-CZ 3.87Å; L147-F158 HydrophobicContact CD2-CD2 4.07Å; L147-F158 HydrophobicContact CD2-CE2 4.06Å; L147-F158 HydrophobicContact CG-CE2 4.26Å; D151-F158 HydrophobicContact CB-CD2 3.86Å; L152-F158 HydrophobicContact CD2-CD2 3.69Å; L152-F158 HydrophobicContact CD2-CE1 4.36Å; L152-F158 HydrophobicContact CD2-CE2 3.45Å; L152-F158 VanDerWaalsContact CD2-CE2 3.45Å; L152-F158 HydrophobicContact CD2-CG 4.26Å; L152-F158 HydrophobicContact CD2-CZ 3.83Å; L152-F158 HydrophobicContact CG-CD2 4.43Å; L152-F158 HydrophobicContact CG-CE2 4.31Å; D154-F158 VanDerWaalsContact O-CB 3.28Å; D154-F158 WeakPolarHBondContact O-CB 3.49Å; D154-F158 PolarHBondContact O-N 3.44Å; E156-F158 VanDerWaalsContact C-N 3.26Å; E156-F158 PolarHBondContact O-N 3.39Å; F158-E160 VanDerWaalsContact C-N 3.29Å; F158-E160 PolarHBondContact O-N 3.01Å; F158-K161 PolarHBondContact O-N 2.9Å; F158-L162 HydrophobicContact CD1-CB 4.47Å; F158-L162 HydrophobicContact CE1-CB 4.22Å; F158-L162 HydrophobicContact CE1-CD2 3.92Å; F158-L162 VanDerWaalsContact O-CB 3.25Å; F158-L162 WeakPolarHBondContact O-CB 3.37Å; F158-L162 PolarHBondContact O-N 3.29Å; F158-L188 HydrophobicContact CD1-CD1 4Å; F158-L188 HydrophobicContact CE1-CD1 4.13Å; F158-T191 HydrophobicContact CE1-CG2 4.02Å; F158-T191 HydrophobicContact CZ-CG2 3.68Å; F158-M192 HydrophobicContact CB-CE 4.44Å; F158-M192 HydrophobicContact CD1-CE 3.19Å; F158-M192 HydrophobicContact CE1-CE 3.46Å; F158-M192 VanDerWaalsContact CE1-CE 3.46Å; F158-M192 HydrophobicContact CG-CE 3.85Å; F158-M192 HydrophobicContact CZ-CE 4.32Å
159A98.7Very high98.6Very high20 Ų2061.4 Ų61.417%0.16529%0.293CS..Hα-helixtrans-62.5-37-178.600000112K155 E156 K163 Y184 L188K155-A159 PolarHBondContact O-N 3.22Å; K155-A159 VanDerWaalsContact O-N 3.16Å; E156-A159 PolarHBondContact O-N 2.87Å; E156-A159 VanDerWaalsContact O-N 3.1Å; A159-K163 WeakPolarHBondContact O-CB 3.49Å; A159-K163 PolarHBondContact O-N 2.76Å; A159-K163 VanDerWaalsContact O-N 3.1Å; A159-Y184 PolarHBondContact O-OH 3.44Å; A159-L188 HydrophobicContact CB-CD1 3.92Å; A159-L188 HydrophobicContact CB-CD2 4.09Å
160E98.5Very high98.6Very high136 Ų13662.7 Ų62.764%0.63630%0.3SS*.Hα-helixtrans-65.7-52.9174.7-66.9-176.9167.700111.8E156 T157 F158 L162 K163 E164E156-E160 PolarHBondContact O-N 2.92Å; T157-E160 PolarHBondContact O-N 2.72Å; F158-E160 VanDerWaalsContact C-N 3.29Å; F158-E160 PolarHBondContact O-N 3.01Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 2.83Å; E160-K163 WeakPolarHBondContact O-CB 3.34Å; E160-K163 PolarHBondContact O-N 3.24Å; E160-K163 VanDerWaalsContact O-N 3.13Å; E160-E164 PolarHBondContact O-N 2.94Å; E160-E164 VanDerWaalsContact O-N 3.1Å
161K98.7Very high98.6Very high86 Ų8668.4 Ų68.437%0.37432%0.319SS..Hα-helixtrans-59.9-41178.4-71.8170.8175.3166.70112L147 D151 T157 F158 K163 E164 V165L147-K161 HydrophobicContact CD2-CB 3.51Å; L147-K161 HydrophobicContact CD2-CD 4.08Å; L147-K161 HydrophobicContact CD2-CG 4.45Å; D151-K161 IonicContact OD1-NZ 2.67Å; D151-K161 PolarHBondContact OD1-NZ 3.34Å; T157-K161 HydrophobicContact CG2-CD 3.99Å; T157-K161 HydrophobicContact CG2-CG 4.36Å; T157-K161 WeakPolarHBondContact O-CG 3.39Å; T157-K161 PolarHBondContact O-N 2.94Å; F158-K161 PolarHBondContact O-N 2.9Å; K161-K163 VanDerWaalsContact C-N 3.32Å; K161-K163 PolarHBondContact O-N 3Å; K161-E164 PolarHBondContact O-N 3.41Å; K161-V165 WeakPolarHBondContact O-CG1 3.04Å; K161-V165 PolarHBondContact O-N 2.7Å; K161-V165 VanDerWaalsContact O-N 3.1Å
162L98.8Very high98.6Very high0 Ų069 Ų690%032%0.321CS..Hα-helixtrans-60.8-43.3176.217965000111.2L108 Y110 L147 F158 E160 V165 M166 Y184 V187 L188L108-L162 HydrophobicContact CD1-CD1 3.59Å; Y110-L162 HydrophobicContact CE1-CD1 3.88Å; L147-L162 HydrophobicContact CD1-CB 3.99Å; L147-L162 HydrophobicContact CD1-CD1 3.7Å; L147-L162 HydrophobicContact CD1-CG 4.47Å; F158-L162 HydrophobicContact CD1-CB 4.47Å; F158-L162 HydrophobicContact CE1-CB 4.22Å; F158-L162 HydrophobicContact CE1-CD2 3.92Å; F158-L162 VanDerWaalsContact O-CB 3.25Å; F158-L162 WeakPolarHBondContact O-CB 3.37Å; F158-L162 PolarHBondContact O-N 3.29Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 2.83Å; L162-V165 WeakPolarHBondContact O-CG1 3.47Å; L162-M166 HydrophobicContact CD1-CG 3.87Å; L162-M166 HydrophobicContact CD1-SD 3.65Å; L162-M166 HydrophobicContact CD2-SD 4.34Å; L162-M166 HydrophobicContact CG-CG 4.31Å; L162-M166 HydrophobicContact CG-SD 3.84Å; L162-M166 VanDerWaalsContact O-CB 3.25Å; L162-M166 WeakPolarHBondContact O-CB 3.42Å; L162-M166 VanDerWaalsContact O-CG 3.25Å; L162-M166 WeakPolarHBondContact O-CG 3.48Å; L162-M166 PolarHBondContact O-N 3.18Å; L162-Y184 HydrophobicContact CB-CE2 4.21Å; L162-Y184 HydrophobicContact CD2-CD2 4.28Å; L162-Y184 HydrophobicContact CD2-CE2 4.01Å; L162-Y184 HydrophobicContact CG-CD2 4.15Å; L162-Y184 HydrophobicContact CG-CE2 3.95Å; L162-V187 HydrophobicContact CD1-CG1 4.01Å; L162-V187 HydrophobicContact CD2-CG1 4.1Å; L162-L188 HydrophobicContact CD2-CB 3.83Å; L162-L188 HydrophobicContact CD2-CD1 3.99Å
163K98.7Very high98.6Very high104 Ų10469 Ų6945%0.45232%0.32SS..Hα-helixtrans-61.8-48.9179.7-172173.4177.8179.20111.2A159 E160 K161 M166 E167 Y184A159-K163 WeakPolarHBondContact O-CB 3.49Å; A159-K163 PolarHBondContact O-N 2.76Å; A159-K163 VanDerWaalsContact O-N 3.1Å; E160-K163 WeakPolarHBondContact O-CB 3.34Å; E160-K163 PolarHBondContact O-N 3.24Å; E160-K163 VanDerWaalsContact O-N 3.13Å; K161-K163 VanDerWaalsContact C-N 3.32Å; K161-K163 PolarHBondContact O-N 3Å; K163-M166 PolarHBondContact O-N 2.98Å; K163-E167 VanDerWaalsContact CE-OE1 3.23Å; K163-E167 WeakPolarHBondContact CE-OE1 3.38Å; K163-E167 WeakPolarHBondContact O-CG 3.26Å; K163-E167 PolarHBondContact O-N 3.48Å; K163-Y184 HydrophobicContact CB-CD2 4.1Å; K163-Y184 HydrophobicContact CB-CE2 3.53Å; K163-Y184 HydrophobicContact CG-CD2 4.4Å; K163-Y184 HydrophobicContact CG-CE2 4.16Å
164E98.6Very high98.6Very high147 Ų14766.1 Ų66.169%0.68731%0.313SS*.Hα-helixtrans-58.8-50.9179.9-174.4-175.316000112E160 K161 M166 E167 Y168E160-E164 PolarHBondContact O-N 2.94Å; E160-E164 VanDerWaalsContact O-N 3.1Å; K161-E164 PolarHBondContact O-N 3.41Å; E164-M166 VanDerWaalsContact C-N 3.33Å; E164-M166 PolarHBondContact O-N 3.19Å; E164-E167 PolarHBondContact O-N 2.87Å; E164-Y168 PolarHBondContact O-N 2.85Å
165V98.6Very high98.6Very high6 Ų666.1 Ų66.14%0.03631%0.313CS..Hα-helixtrans-68.1-34.1-177.874.90000112Y110 R145 L147 K161 L162 H169Y110-V165 HydrophobicContact CE1-CG1 4.4Å; R145-V165 HydrophobicContact CB-CG2 4.41Å; R145-V165 HydrophobicContact CG-CG2 4.12Å; L147-V165 HydrophobicContact CD1-CG1 4.43Å; K161-V165 WeakPolarHBondContact O-CG1 3.04Å; K161-V165 PolarHBondContact O-N 2.7Å; K161-V165 VanDerWaalsContact O-N 3.1Å; L162-V165 WeakPolarHBondContact O-CG1 3.47Å; V165-H169 PolarHBondContact O-CD2 3.46Å; V165-H169 PolarHBondContact O-N 2.86Å; V165-H169 VanDerWaalsContact O-N 3.08Å
166M98.6Very high98.6Very high2 Ų269.6 Ų69.61%0.0132%0.324CS..Hα-helixtrans-71.1-38.6176-75.9-171.167.200112.5Y110 L162 K163 E164 Y168 H169 N170 V182 Y184 V187Y110-M166 HydrophobicContact CD1-CE 4.42Å; Y110-M166 HydrophobicContact CD1-CG 3.5Å; Y110-M166 HydrophobicContact CD1-SD 4.03Å; Y110-M166 HydrophobicContact CE1-CG 3.7Å; Y110-M166 HydrophobicContact CE1-SD 4.32Å; Y110-M166 HydrophobicContact CG-CG 4.29Å; L162-M166 HydrophobicContact CD1-CG 3.87Å; L162-M166 HydrophobicContact CD1-SD 3.65Å; L162-M166 HydrophobicContact CD2-SD 4.34Å; L162-M166 HydrophobicContact CG-CG 4.31Å; L162-M166 HydrophobicContact CG-SD 3.84Å; L162-M166 VanDerWaalsContact O-CB 3.25Å; L162-M166 WeakPolarHBondContact O-CB 3.42Å; L162-M166 VanDerWaalsContact O-CG 3.25Å; L162-M166 WeakPolarHBondContact O-CG 3.48Å; L162-M166 PolarHBondContact O-N 3.18Å; K163-M166 PolarHBondContact O-N 2.98Å; E164-M166 VanDerWaalsContact C-N 3.33Å; E164-M166 PolarHBondContact O-N 3.19Å; M166-Y168 VanDerWaalsContact C-N 3.31Å; M166-Y168 PolarHBondContact O-N 2.96Å; M166-H169 PolarHBondContact O-N 3.33Å; M166-N170 WeakPolarHBondContact O-CB 3.38Å; M166-N170 VanDerWaalsContact O-CG 3.31Å; M166-N170 PolarHBondContact O-N 3.02Å; M166-N170 PolarHBondContact O-ND2 2.63Å; M166-V182 HydrophobicContact CE-CB 3.99Å; M166-V182 HydrophobicContact CE-CG1 3.73Å; M166-V182 WeakPolarHBondContact CE-O 3.45Å; M166-Y184 VanDerWaalsContact CE-CA 3.47Å; M166-Y184 HydrophobicContact SD-CD2 4.04Å; M166-V187 HydrophobicContact CE-CB 4.2Å; M166-V187 HydrophobicContact CE-CG2 3.87Å; M166-V187 HydrophobicContact SD-CB 3.91Å; M166-V187 HydrophobicContact SD-CG1 4.06Å; M166-V187 HydrophobicContact SD-CG2 4.17Å
167E98.5Very high98.5Very high118 Ų11864.4 Ų64.455%0.55130%0.298SS*.Hα-helixtrans-59.1-44.3173.7-77178-17600111K163 E164 F171K163-E167 VanDerWaalsContact CE-OE1 3.23Å; K163-E167 WeakPolarHBondContact CE-OE1 3.38Å; K163-E167 WeakPolarHBondContact O-CG 3.26Å; K163-E167 PolarHBondContact O-N 3.48Å; E164-E167 PolarHBondContact O-N 2.87Å; E167-F171 PolarHBondContact O-N 3.06Å
168Y98.7Very high98.5Very high121 Ų12170 Ų7048%0.47532%0.319SS..Hα-helixtrans-57.8-50.5174.5172.3-93.7000112.5E164 M166 F171 Q172E164-Y168 PolarHBondContact O-N 2.85Å; M166-Y168 VanDerWaalsContact C-N 3.31Å; M166-Y168 PolarHBondContact O-N 2.96Å; Y168-F171 PolarHBondContact O-N 3.44Å; Y168-Q172 PolarHBondContact O-N 3.49Å
169H98.7Very high98.5Very high2 Ų271.7 Ų71.71%0.00933%0.333CS..Hα-helixtrans-74-36-177.1-73-51.7000113.3Y110 L114 D140 V165 M166 F171 Q172 L173Y110-H169 HydrophobicContact CD2-CB 4.35Å; Y110-H169 AromaticContact CD2-CD2 3.35Å; Y110-H169 WeakPolarHBondContact CD2-CD2 3.24Å; Y110-H169 AromaticContact CE2-CD2 3.48Å; Y110-H169 VanDerWaalsContact CE2-CD2 3.48Å; Y110-H169 WeakPolarHBondContact CE2-CD2 3.21Å; Y110-H169 AromaticContact CE2-NE2 3.87Å; L114-H169 HydrophobicContact CD1-CB 4.06Å; L114-H169 VanDerWaalsContact CD1-ND1 3.34Å; L114-H169 WeakPolarHBondContact CD1-ND1 3.45Å; D140-H169 VanDerWaalsContact CG-NE2 3.34Å; D140-H169 IonicContact OD1-CE1 2.96Å; D140-H169 PolarHBondContact OD1-CE1 2.99Å; D140-H169 VanDerWaalsContact OD1-CE1 3.22Å; D140-H169 IonicContact OD1-NE2 3.44Å; D140-H169 PolarHBondContact OD1-NE2 3.41Å; D140-H169 VanDerWaalsContact OD1-NE2 3.15Å; D140-H169 IonicContact OD2-CD2 3.15Å; D140-H169 IonicContact OD2-CE1 3.22Å; D140-H169 IonicContact OD2-NE2 2.66Å; D140-H169 PolarHBondContact OD2-NE2 3.39Å; V165-H169 PolarHBondContact O-CD2 3.46Å; V165-H169 PolarHBondContact O-N 2.86Å; V165-H169 VanDerWaalsContact O-N 3.08Å; M166-H169 PolarHBondContact O-N 3.33Å; H169-F171 VanDerWaalsContact C-N 3.28Å; H169-F171 PolarHBondContact O-N 2.89Å; H169-Q172 PolarHBondContact O-N 3.08Å; H169-Q172 VanDerWaalsContact O-N 3.12Å; H169-L173 WeakPolarHBondContact O-CG 3.46Å; H169-L173 PolarHBondContact O-N 3.46Å
170N98.7Very high98.4Very high27 Ų2779.1 Ų79.114%0.14436%0.364CS..Hα-helixtrans-63.6-36.4174.8-81.8-22.5000111.4M166 Q172 L173 V174 A181 V182M166-N170 WeakPolarHBondContact O-CB 3.38Å; M166-N170 VanDerWaalsContact O-CG 3.31Å; M166-N170 PolarHBondContact O-N 3.02Å; M166-N170 PolarHBondContact O-ND2 2.63Å; N170-Q172 VanDerWaalsContact C-N 3.3Å; N170-Q172 PolarHBondContact O-N 3.07Å; N170-L173 PolarHBondContact O-N 3.16Å; N170-V174 WeakPolarHBondContact O-CB 3.47Å; N170-V174 WeakPolarHBondContact O-CG2 3.35Å; N170-V174 PolarHBondContact O-N 3.44Å; N170-A181 HydrophobicContact CB-CB 4.32Å; N170-V182 PolarHBondContact ND2-O 3.12Å; N170-V182 PolarHBondContact OD1-N 3.49Å
171F98.8Very high98.4Very high142 Ų14275.5 Ų75.562%0.62336%0.357SS*.Hα-helixtrans-57.9-45.3172.1-174.7-86000111.3E167 Y168 H169 N175E167-F171 PolarHBondContact O-N 3.06Å; Y168-F171 PolarHBondContact O-N 3.44Å; H169-F171 VanDerWaalsContact C-N 3.28Å; H169-F171 PolarHBondContact O-N 2.89Å; F171-N175 VanDerWaalsContact CD2-ND2 3.29Å; F171-N175 WeakPolarHBondContact CD2-ND2 3.49Å; F171-N175 HydrophobicContact CE1-CB 4.34Å; F171-N175 WeakPolarHBondContact CE2-ND2 3.37Å; F171-N175 HydrophobicContact CZ-CB 4.4Å; F171-N175 VanDerWaalsContact O-CB 3.24Å; F171-N175 WeakPolarHBondContact O-CB 3.47Å; F171-N175 PolarHBondContact O-N 2.96Å; F171-N175 PolarHBondContact O-ND2 3.22Å
172Q98.5Very high98.4Very high45 Ų4572.5 Ų72.521%0.2135%0.347CS..Hα-helixtrans-66.5-46.6177.4-168.6-179.655.100111.9Y168 H169 N170 V174 Y176 Y177Y168-Q172 PolarHBondContact O-N 3.49Å; H169-Q172 PolarHBondContact O-N 3.08Å; H169-Q172 VanDerWaalsContact O-N 3.12Å; N170-Q172 VanDerWaalsContact C-N 3.3Å; N170-Q172 PolarHBondContact O-N 3.07Å; Q172-V174 PolarHBondContact O-N 3.36Å; Q172-Y176 WeakPolarHBondContact O-CA 3.31Å; Q172-Y176 VanDerWaalsContact O-CB 3.26Å; Q172-Y176 WeakPolarHBondContact O-CB 3.37Å; Q172-Y176 PolarHBondContact O-N 2.97Å; Q172-Y177 HydrophobicContact CG-CD2 3.96Å; Q172-Y177 HydrophobicContact CG-CE2 3.65Å; Q172-Y177 PolarHBondContact O-N 2.87Å; Q172-Y177 VanDerWaalsContact O-N 3.08Å
173L98.6Very high98.4Very high0 Ų077.2 Ų77.20%037%0.372CS..Hα-helixtrans-57.2-51.7179.5-74.9168.4000111.5A113 L114 A117 H169 N170 Y177 K178 A179 V182A113-L173 HydrophobicContact CB-CD1 3.96Å; A113-L173 HydrophobicContact CB-CD2 4.08Å; L114-L173 HydrophobicContact CD2-CD2 3.8Å; L114-L173 HydrophobicContact CD2-CG 3.92Å; L114-L173 HydrophobicContact CG-CD2 4.09Å; L114-L173 HydrophobicContact CG-CG 4.28Å; A117-L173 HydrophobicContact CB-CD2 4.16Å; H169-L173 WeakPolarHBondContact O-CG 3.46Å; H169-L173 PolarHBondContact O-N 3.46Å; N170-L173 PolarHBondContact O-N 3.16Å; L173-Y177 CarbonylContact O-C 3.54Å; L173-Y177 PolarHBondContact O-N 2.86Å; L173-K178 PolarHBondContact O-N 3.16Å; L173-A179 HydrophobicContact CB-CB 4.41Å; L173-A179 HydrophobicContact CD2-CB 4.19Å; L173-A179 PolarHBondContact O-N 3.12Å; L173-V182 HydrophobicContact CD1-CG2 3.98Å
174V98.6Very high98.4Very high61 Ų6175.1 Ų75.137%0.3736%0.361SS..Hα-helixtrans-72.2-52.8-177175.80000111.7N170 Q172 K178 A179 A181N170-V174 WeakPolarHBondContact O-CB 3.47Å; N170-V174 WeakPolarHBondContact O-CG2 3.35Å; N170-V174 PolarHBondContact O-N 3.44Å; Q172-V174 PolarHBondContact O-N 3.36Å; V174-K178 WeakPolarHBondContact O-CA 3.41Å; V174-K178 WeakPolarHBondContact O-CD 3.15Å; V174-K178 PolarHBondContact O-N 3.48Å; V174-A179 WeakPolarHBondContact CA-O 3.36Å; V174-A181 HydrophobicContact CG2-CB 3.77Å
175N98.4Very high98.4Very high78 Ų7872.5 Ų72.542%0.41735%0.349SS..Hα-helixtrans-85-32.9-167-62-67.9000113.1F171 K178F171-N175 VanDerWaalsContact CD2-ND2 3.29Å; F171-N175 WeakPolarHBondContact CD2-ND2 3.49Å; F171-N175 HydrophobicContact CE1-CB 4.34Å; F171-N175 WeakPolarHBondContact CE2-ND2 3.37Å; F171-N175 HydrophobicContact CZ-CB 4.4Å; F171-N175 VanDerWaalsContact O-CB 3.24Å; F171-N175 WeakPolarHBondContact O-CB 3.47Å; F171-N175 PolarHBondContact O-N 2.96Å; F171-N175 PolarHBondContact O-ND2 3.22Å; N175-K178 WeakPolarHBondContact O-CE 3.45Å; N175-K178 PolarHBondContact O-NZ 3.09Å
176Y98Very high98.4Very high162 Ų16277 Ų7764%0.63537%0.368SS*.THydrogen-bonded Turntrans-96.6-56.9-179.4-176.6-102.8000111.7Q172 K178Q172-Y176 WeakPolarHBondContact O-CA 3.31Å; Q172-Y176 VanDerWaalsContact O-CB 3.26Å; Q172-Y176 WeakPolarHBondContact O-CB 3.37Å; Q172-Y176 PolarHBondContact O-N 2.97Å; Y176-K178 VanDerWaalsContact C-N 3.34Å; Y176-K178 PolarHBondContact O-N 2.74Å
177Y97.8Very high98.4Very high50 Ų5077.1 Ų77.120%0.19637%0.369CS..SBendtrans-81.3-11.2-175.5-67.3-63.3000114.6L114 A117 R118 A121 Q172 L173 A179L114-Y177 HydrophobicContact CD2-CD2 4.42Å; L114-Y177 HydrophobicContact CD2-CE2 4.13Å; A117-Y177 HydrophobicContact CB-CD1 4.24Å; A117-Y177 HydrophobicContact CB-CD2 4.17Å; A117-Y177 HydrophobicContact CB-CG 3.87Å; R118-Y177 HydrophobicContact CG-CE1 4.07Å; R118-Y177 HydrophobicContact CG-CE2 4.22Å; R118-Y177 VanDerWaalsContact CG-OH 3.23Å; R118-Y177 WeakPolarHBondContact CG-OH 3.31Å; R118-Y177 PolarHBondContact NE-OH 3.04Å; A121-Y177 HydrophobicContact CB-CD1 4.14Å; A121-Y177 HydrophobicContact CB-CE1 4.11Å; Q172-Y177 HydrophobicContact CG-CD2 3.96Å; Q172-Y177 HydrophobicContact CG-CE2 3.65Å; Q172-Y177 PolarHBondContact O-N 2.87Å; Q172-Y177 VanDerWaalsContact O-N 3.08Å; L173-Y177 CarbonylContact O-C 3.54Å; L173-Y177 PolarHBondContact O-N 2.86Å; Y177-A179 PolarHBondContact O-N 3.11Å
178K97.9Very high98.4Very high163 Ų16372.4 Ų72.471%0.70935%0.347SS*.  trans55.438.5-174.8-47.5-52.6-173.4-172.60111.9L173 V174 N175 Y176L173-K178 PolarHBondContact O-N 3.16Å; V174-K178 WeakPolarHBondContact O-CA 3.41Å; V174-K178 WeakPolarHBondContact O-CD 3.15Å; V174-K178 PolarHBondContact O-N 3.48Å; N175-K178 WeakPolarHBondContact O-CE 3.45Å; N175-K178 PolarHBondContact O-NZ 3.09Å; Y176-K178 VanDerWaalsContact C-N 3.34Å; Y176-K178 PolarHBondContact O-N 2.74Å
179A97.2Very high98.4Very high36 Ų3670.7 Ų70.730%0.29835%0.347SS..PPolyproline II helixtrans-101.2164.3173.800000110.3L173 V174 Y177L173-A179 HydrophobicContact CB-CB 4.41Å; L173-A179 HydrophobicContact CD2-CB 4.19Å; L173-A179 PolarHBondContact O-N 3.12Å; V174-A179 WeakPolarHBondContact CA-O 3.36Å; Y177-A179 PolarHBondContact O-N 3.11Å
180E97.3Very high98.4Very high176 Ų17674.4 Ų74.482%0.82237%0.366SS*.PPolyproline II helixtrans-67.8147.3175.3-66.2179.6173.800111
181A98.2Very high98.4Very high59 Ų5973.4 Ų73.449%0.48836%0.361SS..PPolyproline II helixtrans-68.8142.3170.200000109.7N170 V174N170-A181 HydrophobicContact CB-CB 4.32Å; V174-A181 HydrophobicContact CG2-CB 3.77Å
182V98.6Very high98.4Very high24 Ų2468.6 Ų68.615%0.14534%0.341CS..PPolyproline II helixtrans-81.9132.5171.7-178.20000109.2D109 A113 M166 N170 L173 Y184 V187D109-V182 HydrophobicContact CB-CG1 3.91Å; A113-V182 HydrophobicContact CB-CG2 3.82Å; M166-V182 HydrophobicContact CE-CB 3.99Å; M166-V182 HydrophobicContact CE-CG1 3.73Å; M166-V182 WeakPolarHBondContact CE-O 3.45Å; N170-V182 PolarHBondContact ND2-O 3.12Å; N170-V182 PolarHBondContact OD1-N 3.49Å; L173-V182 HydrophobicContact CD1-CG2 3.98Å; V182-Y184 PolarHBondContact O-N 3.33Å; V182-V187 HydrophobicContact CG1-CG2 3.69Å
183D98.7Very high98.4Very high98 Ų9870.2 Ų70.252%0.52436%0.362SS..PPolyproline II helixtrans-70.2116.1-179.4-176.4-16.3000111.2Q185 K186 V187D183-Q185 PolarHBondContact OD1-N 2.71Å; D183-K186 HydrophobicContact CB-CB 3.92Å; D183-K186 PolarHBondContact OD1-N 3.06Å; D183-V187 WeakPolarHBondContact O-CG2 3.46Å; D183-V187 PolarHBondContact O-N 3.07Å
184Y98.7Very high98.3Very high60 Ų6071.5 Ų71.524%0.23537%0.37CS..Hα-helixtrans-57.9-48.3177.2164.9-101000112.9A159 L162 K163 M166 V182 K186 V187 L188A159-Y184 PolarHBondContact O-OH 3.44Å; L162-Y184 HydrophobicContact CB-CE2 4.21Å; L162-Y184 HydrophobicContact CD2-CD2 4.28Å; L162-Y184 HydrophobicContact CD2-CE2 4.01Å; L162-Y184 HydrophobicContact CG-CD2 4.15Å; L162-Y184 HydrophobicContact CG-CE2 3.95Å; K163-Y184 HydrophobicContact CB-CD2 4.1Å; K163-Y184 HydrophobicContact CB-CE2 3.53Å; K163-Y184 HydrophobicContact CG-CD2 4.4Å; K163-Y184 HydrophobicContact CG-CE2 4.16Å; M166-Y184 VanDerWaalsContact CE-CA 3.47Å; M166-Y184 HydrophobicContact SD-CD2 4.04Å; V182-Y184 PolarHBondContact O-N 3.33Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 3.18Å; Y184-V187 PolarHBondContact O-N 3.3Å; Y184-L188 HydrophobicContact CE1-CD2 4.21Å; Y184-L188 WeakPolarHBondContact O-CB 3.33Å; Y184-L188 PolarHBondContact O-N 2.92Å
185Q98.7Very high98.3Very high93 Ų9368.6 Ų68.644%0.43535%0.352SS..Hα-helixtrans-65.9-41.2-173.2-171.1625300110D183 V187 L188 D189D183-Q185 PolarHBondContact OD1-N 2.71Å; Q185-V187 PolarHBondContact O-N 2.74Å; Q185-L188 PolarHBondContact O-N 2.83Å; Q185-D189 PolarHBondContact NE2-OD1 3.45Å; Q185-D189 WeakPolarHBondContact O-CB 3.37Å; Q185-D189 PolarHBondContact O-N 3.07Å
186K98.6Very high98.3Very high101 Ų10169.5 Ų69.544%0.43936%0.357SS..Hα-helixtrans-58-48.7175177.6169.1169.144.40112.5D183 Y184 L188 D189 D190D183-K186 HydrophobicContact CB-CB 3.92Å; D183-K186 PolarHBondContact OD1-N 3.06Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 3.18Å; K186-L188 VanDerWaalsContact C-N 3.32Å; K186-L188 PolarHBondContact O-N 3.44Å; K186-D189 PolarHBondContact O-N 3.26Å; K186-D190 IonicContact NZ-OD1 2.75Å; K186-D190 IonicContact NZ-OD2 3Å; K186-D190 PolarHBondContact NZ-OD2 3.05Å; K186-D190 WeakPolarHBondContact O-CB 3.42Å; K186-D190 VanDerWaalsContact O-CG 3.29Å; K186-D190 PolarHBondContact O-N 3.07Å
187V98.7Very high98.4Very high3 Ų363.7 Ų63.72%0.01834%0.337CS..Hα-helixtrans-64.7-39.5-178.9175.60000111L108 D109 L162 M166 V182 D183 Y184 Q185 T191L108-V187 HydrophobicContact CB-CG1 4.16Å; L108-V187 HydrophobicContact CD1-CG1 4.17Å; L108-V187 HydrophobicContact CD2-CG1 4.39Å; L108-V187 HydrophobicContact CG-CG1 4.48Å; D109-V187 HydrophobicContact CB-CG2 3.92Å; L162-V187 HydrophobicContact CD1-CG1 4.01Å; L162-V187 HydrophobicContact CD2-CG1 4.1Å; M166-V187 HydrophobicContact CE-CB 4.2Å; M166-V187 HydrophobicContact CE-CG2 3.87Å; M166-V187 HydrophobicContact SD-CB 3.91Å; M166-V187 HydrophobicContact SD-CG1 4.06Å; M166-V187 HydrophobicContact SD-CG2 4.17Å; V182-V187 HydrophobicContact CG1-CG2 3.69Å; D183-V187 WeakPolarHBondContact O-CG2 3.46Å; D183-V187 PolarHBondContact O-N 3.07Å; Y184-V187 PolarHBondContact O-N 3.3Å; Q185-V187 PolarHBondContact O-N 2.74Å; V187-T191 WeakPolarHBondContact O-CB 3.23Å; V187-T191 PolarHBondContact O-N 3.49Å; V187-T191 VanDerWaalsContact O-N 3.1Å; V187-T191 PolarHBondContact O-OG1 3.09Å
188L98.8Very high98.4Very high20 Ų2061.3 Ų61.311%0.10533%0.327CS..Hα-helixtrans-62.3-52.3175.7-178.662.6000110.9F158 A159 L162 Y184 Q185 K186 D190 T191 M192F158-L188 HydrophobicContact CD1-CD1 4Å; F158-L188 HydrophobicContact CE1-CD1 4.13Å; A159-L188 HydrophobicContact CB-CD1 3.92Å; A159-L188 HydrophobicContact CB-CD2 4.09Å; L162-L188 HydrophobicContact CD2-CB 3.83Å; L162-L188 HydrophobicContact CD2-CD1 3.99Å; Y184-L188 HydrophobicContact CE1-CD2 4.21Å; Y184-L188 WeakPolarHBondContact O-CB 3.33Å; Y184-L188 PolarHBondContact O-N 2.92Å; Q185-L188 PolarHBondContact O-N 2.83Å; K186-L188 VanDerWaalsContact C-N 3.32Å; K186-L188 PolarHBondContact O-N 3.44Å; L188-D190 PolarHBondContact O-N 3.03Å; L188-T191 PolarHBondContact O-N 3.33Å; L188-M192 HydrophobicContact CD1-CE 4.11Å; L188-M192 HydrophobicContact CD1-CG 3.88Å; L188-M192 HydrophobicContact CG-CG 4.24Å; L188-M192 WeakPolarHBondContact O-CB 3.26Å; L188-M192 VanDerWaalsContact O-CG 3.28Å; L188-M192 WeakPolarHBondContact O-CG 3.38Å; L188-M192 PolarHBondContact O-N 3Å
189D98.7Very high98.4Very high85 Ų8554.6 Ų54.646%0.45530%0.3SS..Hα-helixtrans-59.8-47.9-177.5-68.7-15.4000111.6Q185 K186 T191 M192 A193Q185-D189 PolarHBondContact NE2-OD1 3.45Å; Q185-D189 WeakPolarHBondContact O-CB 3.37Å; Q185-D189 PolarHBondContact O-N 3.07Å; K186-D189 PolarHBondContact O-N 3.26Å; D189-T191 VanDerWaalsContact C-N 3.3Å; D189-T191 PolarHBondContact O-N 2.88Å; D189-M192 PolarHBondContact O-N 3.06Å; D189-A193 WeakPolarHBondContact O-CB 3.38Å; D189-A193 PolarHBondContact O-N 3.05Å
190D98.6Very high98.5Very high79 Ų7957.2 Ų57.242%0.42232%0.316SS..Hα-helixtrans-62.7-37.8179.1-72.4-16000111.8K186 L188K186-D190 IonicContact NZ-OD1 2.75Å; K186-D190 IonicContact NZ-OD2 3Å; K186-D190 PolarHBondContact NZ-OD2 3.05Å; K186-D190 WeakPolarHBondContact O-CB 3.42Å; K186-D190 VanDerWaalsContact O-CG 3.29Å; K186-D190 PolarHBondContact O-N 3.07Å; L188-D190 PolarHBondContact O-N 3.03Å
191T98.6Very high98.6Very high6 Ų649.1 Ų49.14%0.03728%0.278CS..Hα-helixtrans-73.2-43.7178.8-53.70000111.3L152 F158 V187 L188 D189 A193 V194 A195L152-T191 HydrophobicContact CD2-CG2 3.7Å; F158-T191 HydrophobicContact CE1-CG2 4.02Å; F158-T191 HydrophobicContact CZ-CG2 3.68Å; V187-T191 WeakPolarHBondContact O-CB 3.23Å; V187-T191 PolarHBondContact O-N 3.49Å; V187-T191 VanDerWaalsContact O-N 3.1Å; V187-T191 PolarHBondContact O-OG1 3.09Å; L188-T191 PolarHBondContact O-N 3.33Å; D189-T191 VanDerWaalsContact C-N 3.3Å; D189-T191 PolarHBondContact O-N 2.88Å; T191-A193 VanDerWaalsContact C-N 3.28Å; T191-A193 PolarHBondContact O-N 3.25Å; T191-V194 WeakPolarHBondContact O-CG2 3.34Å; T191-V194 PolarHBondContact O-N 3.25Å; T191-A195 PolarHBondContact O-N 2.97Å; T191-A195 VanDerWaalsContact O-N 3.08Å
192M98.3Very high98.6Very high42 Ų4247.6 Ų47.621%0.20726%0.263CS..Hα-helixtrans-65.1-31.8179.1-71.5-57.4111.600112.4L152 K155 F158 L188 D189 V194 A195L152-M192 HydrophobicContact CD2-CE 4.05Å; K155-M192 HydrophobicContact CB-SD 4.04Å; K155-M192 HydrophobicContact CD-SD 4.08Å; K155-M192 HydrophobicContact CG-SD 3.89Å; F158-M192 HydrophobicContact CB-CE 4.44Å; F158-M192 HydrophobicContact CD1-CE 3.19Å; F158-M192 HydrophobicContact CE1-CE 3.46Å; F158-M192 VanDerWaalsContact CE1-CE 3.46Å; F158-M192 HydrophobicContact CG-CE 3.85Å; F158-M192 HydrophobicContact CZ-CE 4.32Å; L188-M192 HydrophobicContact CD1-CE 4.11Å; L188-M192 HydrophobicContact CD1-CG 3.88Å; L188-M192 HydrophobicContact CG-CG 4.24Å; L188-M192 WeakPolarHBondContact O-CB 3.26Å; L188-M192 VanDerWaalsContact O-CG 3.28Å; L188-M192 WeakPolarHBondContact O-CG 3.38Å; L188-M192 PolarHBondContact O-N 3Å; D189-M192 PolarHBondContact O-N 3.06Å; M192-V194 PolarHBondContact O-N 3.21Å; M192-V194 VanDerWaalsContact O-N 3.12Å; M192-A195 PolarHBondContact O-N 3.38Å
193A98.4Very high98.6Very high78 Ų7848.6 Ų48.665%0.64527%0.269SS*.Hα-helixtrans-59.8-21.7176.600000113.7D189 T191D189-A193 WeakPolarHBondContact O-CB 3.38Å; D189-A193 PolarHBondContact O-N 3.05Å; T191-A193 VanDerWaalsContact C-N 3.28Å; T191-A193 PolarHBondContact O-N 3.25Å
194V98.3Very high98.6Very high28 Ų2848.6 Ų48.617%0.1727%0.269CS..Hα-helixtrans-122-2.6-176.8-56.20000113.3P77 M81 T191 M192 D196 I197 L198P77-V194 HydrophobicContact CB-CG2 3.91Å; M81-V194 HydrophobicContact CG-CB 3.97Å; M81-V194 HydrophobicContact CG-CG1 3.77Å; M81-V194 HydrophobicContact CG-CG2 4.42Å; M81-V194 HydrophobicContact SD-CB 4.41Å; T191-V194 WeakPolarHBondContact O-CG2 3.34Å; T191-V194 PolarHBondContact O-N 3.25Å; M192-V194 PolarHBondContact O-N 3.21Å; M192-V194 VanDerWaalsContact O-N 3.12Å; V194-D196 PolarHBondContact O-N 3.29Å; V194-I197 WeakPolarHBondContact O-CB 3.4Å; V194-I197 PolarHBondContact O-N 2.85Å; V194-I197 VanDerWaalsContact O-N 3.12Å; V194-L198 HydrophobicContact CG2-CD1 4.44Å; V194-L198 PolarHBondContact O-N 2.96Å; V194-L198 VanDerWaalsContact O-N 3.14Å
195A98.6Very high98.6Very high0 Ų045.8 Ų45.80%026%0.258CS..Hα-helixtrans-55.2-48-174.600000112.7L152 T191 M192 I197 L198 T199L152-A195 HydrophobicContact CB-CB 4.38Å; L152-A195 HydrophobicContact CD2-CB 4.27Å; T191-A195 PolarHBondContact O-N 2.97Å; T191-A195 VanDerWaalsContact O-N 3.08Å; M192-A195 PolarHBondContact O-N 3.38Å; A195-I197 VanDerWaalsContact C-N 3.27Å; A195-I197 PolarHBondContact O-N 2.96Å; A195-L198 PolarHBondContact O-N 3.41Å; A195-L198 VanDerWaalsContact O-N 3.14Å; A195-T199 WeakPolarHBondContact O-CG2 3.34Å; A195-T199 PolarHBondContact O-N 2.82Å; A195-T199 PolarHBondContact O-OG1 3.2Å; A195-T199 VanDerWaalsContact O-OG1 3.12Å
196D98.5Very high98.6Very high97 Ų9743.8 Ų43.852%0.51925%0.254SS..Hα-helixtrans-67.2-29.1-177.4-62.3-20.3000112.2K155 V194 T199 S200K155-D196 VanDerWaalsContact CE-OD1 3.28Å; K155-D196 WeakPolarHBondContact CE-OD1 3.19Å; K155-D196 IonicContact NZ-OD1 3.74Å; K155-D196 PolarHBondContact NZ-OD1 2.87Å; K155-D196 IonicContact NZ-OD2 2.74Å; K155-D196 PolarHBondContact NZ-OD2 3.32Å; K155-D196 VanDerWaalsContact NZ-OD2 3.15Å; V194-D196 PolarHBondContact O-N 3.29Å; D196-T199 WeakPolarHBondContact CA-OG1 3.33Å; D196-T199 PolarHBondContact O-OG1 2.9Å; D196-S200 WeakPolarHBondContact O-CB 3.49Å; D196-S200 PolarHBondContact O-N 2.9Å; D196-S200 VanDerWaalsContact O-N 3.17Å; D196-S200 PolarHBondContact O-OG 3.44Å
197I98.4Very high98.5Very high40 Ų4042.6 Ų42.621%0.20525%0.253CS..Hα-helixtrans-67.3-47.7173.5-59.7173.4000109.3M81 M84 V194 A195 S200 M201M81-I197 HydrophobicContact CE-CD1 4.01Å; M81-I197 HydrophobicContact CE-CG2 4.27Å; M81-I197 HydrophobicContact SD-CB 4.45Å; M81-I197 HydrophobicContact SD-CD1 4.36Å; M81-I197 HydrophobicContact SD-CG2 3.95Å; M84-I197 HydrophobicContact CE-CG2 4.3Å; V194-I197 WeakPolarHBondContact O-CB 3.4Å; V194-I197 PolarHBondContact O-N 2.85Å; V194-I197 VanDerWaalsContact O-N 3.12Å; A195-I197 VanDerWaalsContact C-N 3.27Å; A195-I197 PolarHBondContact O-N 2.96Å; I197-S200 PolarHBondContact O-N 2.98Å; I197-S200 PolarHBondContact O-OG 3.01Å; I197-M201 HydrophobicContact CG2-CE 4.2Å; I197-M201 WeakPolarHBondContact O-CE 3.41Å
198L98.6Very high98.5Very high0 Ų043.9 Ų43.90%026%0.259CS..Hα-helixtrans-63.8-48.1179.9-61-176.5000112.3L75 P77 L80 L100 L152 V194 A195 S200 M201L75-L198 HydrophobicContact CD2-CD1 4.41Å; P77-L198 HydrophobicContact CB-CD1 3.99Å; P77-L198 HydrophobicContact CG-CD1 4.09Å; L80-L198 HydrophobicContact CD2-CD2 3.66Å; L100-L198 HydrophobicContact CD1-CB 4.39Å; L100-L198 HydrophobicContact CD1-CD2 4.09Å; L152-L198 HydrophobicContact CD1-CB 4.24Å; L152-L198 HydrophobicContact CD1-CD1 3.8Å; V194-L198 HydrophobicContact CG2-CD1 4.44Å; V194-L198 PolarHBondContact O-N 2.96Å; V194-L198 VanDerWaalsContact O-N 3.14Å; A195-L198 PolarHBondContact O-N 3.41Å; A195-L198 VanDerWaalsContact O-N 3.14Å; L198-S200 PolarHBondContact O-N 3.36Å; L198-M201 HydrophobicContact CD2-CE 4.13Å; L198-M201 PolarHBondContact O-N 3Å; L198-M201 VanDerWaalsContact O-N 3.12Å
199T98.6Very high98.5Very high22 Ų2243 Ų4314%0.13526%0.255CS..Hα-helixtrans-66.4-27.6-177.654.70000112.2L152 F153 A195 D196 M201 V202L152-T199 HydrophobicContact CB-CG2 3.74Å; F153-T199 HydrophobicContact CD1-CG2 4.22Å; F153-T199 HydrophobicContact CD2-CG2 4.21Å; F153-T199 HydrophobicContact CE1-CG2 4.2Å; F153-T199 HydrophobicContact CE2-CG2 4.18Å; F153-T199 HydrophobicContact CG-CG2 4.23Å; F153-T199 HydrophobicContact CZ-CG2 4.17Å; A195-T199 WeakPolarHBondContact O-CG2 3.34Å; A195-T199 PolarHBondContact O-N 2.82Å; A195-T199 PolarHBondContact O-OG1 3.2Å; A195-T199 VanDerWaalsContact O-OG1 3.12Å; D196-T199 WeakPolarHBondContact CA-OG1 3.33Å; D196-T199 PolarHBondContact O-OG1 2.9Å; T199-M201 PolarHBondContact O-N 2.97Å; T199-V202 WeakPolarHBondContact O-CB 3.06Å; T199-V202 PolarHBondContact O-N 2.8Å
200S98.4Very high98.4Very high90 Ų9041.6 Ų41.663%0.62925%0.247SC*.Hα-helixtrans-64.8-21.5174.175.50000114.5D196 I197 L198D196-S200 WeakPolarHBondContact O-CB 3.49Å; D196-S200 PolarHBondContact O-N 2.9Å; D196-S200 VanDerWaalsContact O-N 3.17Å; D196-S200 PolarHBondContact O-OG 3.44Å; I197-S200 PolarHBondContact O-N 2.98Å; I197-S200 PolarHBondContact O-OG 3.01Å; L198-S200 PolarHBondContact O-N 3.36Å
201M98.7Very high98.4Very high6 Ų641.2 Ų41.23%0.0324%0.243CC..THydrogen-bonded Turntrans-97.4-1178.8-64.3-177.5-7300113.1M84 L98 L99 L100 I197 L198 T199M84-M201 HydrophobicContact CE-CE 4.03Å; M84-M201 HydrophobicContact CE-SD 4.05Å; M84-M201 HydrophobicContact SD-CE 3.97Å; L98-M201 HydrophobicContact CB-SD 4.23Å; L98-M201 HydrophobicContact CD2-SD 4.12Å; L98-M201 HydrophobicContact CG-SD 4.29Å; L99-M201 CarbonylContact C-O 3.53Å; L99-M201 WeakPolarHBondContact CA-O 3.34Å; L100-M201 HydrophobicContact CD1-CB 4.2Å; L100-M201 HydrophobicContact CD1-CE 3.9Å; L100-M201 HydrophobicContact CG-CB 3.96Å; L100-M201 HydrophobicContact CG-CE 4.46Å; L100-M201 PolarHBondContact N-O 3.36Å; I197-M201 HydrophobicContact CG2-CE 4.2Å; I197-M201 WeakPolarHBondContact O-CE 3.41Å; L198-M201 HydrophobicContact CD2-CE 4.13Å; L198-M201 PolarHBondContact O-N 3Å; L198-M201 VanDerWaalsContact O-N 3.12Å; T199-M201 PolarHBondContact O-N 2.97Å
202V98.8Very high98.3Very high27 Ų2740.9 Ų40.916%0.16424%0.241CC..EExtended strand (participates in β ladder)trans-74.2133.9-175.5169.40000111.4L100 E102 V149 F153 T199L100-V202 HydrophobicContact CB-CG2 4.44Å; L100-V202 WeakPolarHBondContact O-CA 3.36Å; E102-V202 HydrophobicContact CB-CG1 3.74Å; V149-V202 HydrophobicContact CG1-CG2 3.57Å; F153-V202 HydrophobicContact CE2-CB 4.25Å; F153-V202 HydrophobicContact CE2-CG1 4.02Å; F153-V202 HydrophobicContact CE2-CG2 4.26Å; F153-V202 HydrophobicContact CZ-CB 4.05Å; F153-V202 HydrophobicContact CZ-CG1 4.12Å; F153-V202 HydrophobicContact CZ-CG2 4.37Å; T199-V202 WeakPolarHBondContact O-CB 3.06Å; T199-V202 PolarHBondContact O-N 2.8Å
203V98.7Very high98.2Very high45 Ų4542.1 Ų42.127%0.27324%0.243SC..EExtended strand (participates in β ladder)trans-137.8162.4171.1-59.50000110.9L99 L100 V205 L208L99-V203 HydrophobicContact CB-CG2 3.89Å; L99-V203 HydrophobicContact CD1-CG1 4.17Å; L99-V203 HydrophobicContact CD1-CG2 4.02Å; L99-V203 HydrophobicContact CD2-CG1 3.91Å; L99-V203 HydrophobicContact CG-CG1 4.42Å; L99-V203 HydrophobicContact CG-CG2 4.44Å; L100-V203 PolarHBondContact O-N 2.71Å; V203-V205 HydrophobicContact CG2-CG2 3.9Å; V203-V205 PolarHBondContact O-N 2.88Å; V203-L208 HydrophobicContact CG2-CD2 4.23Å
204D98.6Very high98Very high98 Ų9844.2 Ų44.252%0.52424%0.24SC..  trans-7395.8162.2-172.5-20000109.2S206 D207 L208D204-S206 VanDerWaalsContact C-N 3.28Å; D204-S206 PolarHBondContact O-N 3.29Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-N 3.44Å; D204-D207 HydrophobicContact CB-CB 4.06Å; D204-D207 PolarHBondContact OD1-N 3.37Å; D204-L208 VanDerWaalsContact O-CB 3.32Å; D204-L208 WeakPolarHBondContact O-CB 3.28Å; D204-L208 PolarHBondContact O-N 3.28Å
205V98.6Very high97.9Very high1 Ų148.7 Ų48.71%0.00625%0.254CS..Hα-helixtrans-64.1-34.6-179.7174.90000111.6I68 V203 L208 L209I68-V205 HydrophobicContact CG2-CB 4.37Å; I68-V205 HydrophobicContact CG2-CG1 3.76Å; I68-V205 HydrophobicContact CG2-CG2 3.63Å; V203-V205 HydrophobicContact CG2-CG2 3.9Å; V203-V205 PolarHBondContact O-N 2.88Å; V205-L208 PolarHBondContact O-N 3.01Å; V205-L209 HydrophobicContact CG1-CD1 3.89Å; V205-L209 HydrophobicContact CG1-CG 4.18Å; V205-L209 WeakPolarHBondContact O-CB 3.39Å; V205-L209 VanDerWaalsContact O-CG 3.24Å; V205-L209 WeakPolarHBondContact O-CG 3.37Å; V205-L209 PolarHBondContact O-N 3.48Å
206S98.2Very high97.7Very high51 Ų5150.2 Ų50.236%0.35727%0.269SS..Hα-helixtrans-68.6-46.3-176.9-61.20000110.7D204 L209 D210 G254D204-S206 VanDerWaalsContact C-N 3.28Å; D204-S206 PolarHBondContact O-N 3.29Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-N 3.44Å; S206-L209 PolarHBondContact O-N 2.78Å; S206-D210 PolarHBondContact O-N 2.94Å; S206-D210 VanDerWaalsContact O-N 3.12Å; S206-G254 WeakPolarHBondContact OG-CA 3.4Å
207D98.5Very high97.6Very high77 Ų7747.7 Ų47.741%0.41226%0.255SS..Hα-helixtrans-63.2-45.7174.6179.352.1000111.4D204 L209 D210 Q211D204-D207 HydrophobicContact CB-CB 4.06Å; D204-D207 PolarHBondContact OD1-N 3.37Å; D207-L209 VanDerWaalsContact C-N 3.32Å; D207-L209 PolarHBondContact O-N 2.78Å; D207-D210 PolarHBondContact O-N 2.81Å; D207-Q211 VanDerWaalsContact O-CG 3.32Å; D207-Q211 WeakPolarHBondContact O-CG 3.4Å; D207-Q211 PolarHBondContact O-N 3Å; D207-Q211 PolarHBondContact OD1-NE2 2.84Å; D207-Q211 PolarHBondContact OD2-NE2 3.12Å
208L98.5Very high97.4Very high29 Ų2948 Ų4815%0.15226%0.255CS..Hα-helixtrans-56.9-43.7178.4-179.565.4000112.5Y30 I68 L99 V203 D204 V205 Q211 A212Y30-L208 HydrophobicContact CE1-CD1 4.29Å; Y30-L208 HydrophobicContact CE1-CD2 4.08Å; Y30-L208 HydrophobicContact CE1-CG 4.3Å; I68-L208 HydrophobicContact CD1-CD2 3.68Å; L99-L208 HydrophobicContact CD1-CD2 3.67Å; V203-L208 HydrophobicContact CG2-CD2 4.23Å; D204-L208 VanDerWaalsContact O-CB 3.32Å; D204-L208 WeakPolarHBondContact O-CB 3.28Å; D204-L208 PolarHBondContact O-N 3.28Å; V205-L208 PolarHBondContact O-N 3.01Å; L208-Q211 PolarHBondContact O-N 3.41Å; L208-A212 WeakPolarHBondContact O-CB 3.3Å; L208-A212 PolarHBondContact O-N 2.98Å
209L98.1Very high97.3Very high1 Ų148 Ų481%0.00526%0.256CS..Hα-helixtrans-71.1-37-179.9-68.8-179000112.5V32 I68 V205 S206 D207 A212 R213 V219 F221 L255V32-L209 HydrophobicContact CG2-CD1 4.47Å; V32-L209 HydrophobicContact CG2-CD2 3.94Å; I68-L209 HydrophobicContact CD1-CD2 4.23Å; V205-L209 HydrophobicContact CG1-CD1 3.89Å; V205-L209 HydrophobicContact CG1-CG 4.18Å; V205-L209 WeakPolarHBondContact O-CB 3.39Å; V205-L209 VanDerWaalsContact O-CG 3.24Å; V205-L209 WeakPolarHBondContact O-CG 3.37Å; V205-L209 PolarHBondContact O-N 3.48Å; S206-L209 PolarHBondContact O-N 2.78Å; D207-L209 VanDerWaalsContact C-N 3.32Å; D207-L209 PolarHBondContact O-N 2.78Å; L209-A212 PolarHBondContact O-N 2.82Å; L209-R213 PolarHBondContact O-N 2.83Å; L209-V219 HydrophobicContact CD2-CG1 3.92Å; L209-V219 HydrophobicContact CD2-CG2 4.32Å; L209-F221 HydrophobicContact CD1-CE1 4.07Å; L209-F221 HydrophobicContact CD1-CZ 4.28Å; L209-L255 HydrophobicContact CB-CD1 4.44Å
210D97.4Very high97.3Very high56 Ų5647 Ų4730%0.29925%0.249SC..Hα-helixtrans-66.6-41173.6-171.548.1000111.4S206 D207 R213 Q214S206-D210 PolarHBondContact O-N 2.94Å; S206-D210 VanDerWaalsContact O-N 3.12Å; D207-D210 PolarHBondContact O-N 2.81Å; D210-R213 WeakPolarHBondContact O-CB 3.4Å; D210-R213 PolarHBondContact O-N 2.87Å; D210-R213 IonicContact OD1-CZ 3.15Å; D210-R213 VanDerWaalsContact OD1-CZ 3.31Å; D210-R213 IonicContact OD1-NE 3.31Å; D210-R213 PolarHBondContact OD1-NE 2.89Å; D210-R213 IonicContact OD1-NH2 3.94Å; D210-R213 PolarHBondContact OD1-NH2 3Å; D210-R213 IonicContact OD2-NH2 2.77Å; D210-Q214 WeakPolarHBondContact O-CG 3.3Å; D210-Q214 PolarHBondContact O-N 2.99Å; D210-Q214 PolarHBondContact OD2-NE2 3.18Å
211Q97.7Very high97.3Very high71 Ų7142.7 Ų42.733%0.33222%0.219SC..Hα-helixtrans-65.1-40175-66.7178.317.500112.4D207 L208 R213 Q214 R215D207-Q211 VanDerWaalsContact O-CG 3.32Å; D207-Q211 WeakPolarHBondContact O-CG 3.4Å; D207-Q211 PolarHBondContact O-N 3Å; D207-Q211 PolarHBondContact OD1-NE2 2.84Å; D207-Q211 PolarHBondContact OD2-NE2 3.12Å; L208-Q211 PolarHBondContact O-N 3.41Å; Q211-R213 VanDerWaalsContact C-N 3.3Å; Q211-R213 PolarHBondContact O-N 2.85Å; Q211-Q214 PolarHBondContact O-N 2.77Å; Q211-Q214 VanDerWaalsContact O-N 3.16Å; Q211-R215 WeakPolarHBondContact O-CG 3.26Å; Q211-R215 PolarHBondContact O-N 3.17Å
212A97.1Very high97.2Very high0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-56.6-46.717400000111Y30 L208 L209 Q214 R215 G216 D217 V219Y30-A212 HydrophobicContact CD2-CB 3.76Å; Y30-A212 HydrophobicContact CE2-CB 3.46Å; Y30-A212 VanDerWaalsContact CE2-CB 3.46Å; L208-A212 WeakPolarHBondContact O-CB 3.3Å; L208-A212 PolarHBondContact O-N 2.98Å; L209-A212 PolarHBondContact O-N 2.82Å; A212-Q214 PolarHBondContact O-N 2.92Å; A212-R215 PolarHBondContact O-N 3.35Å; A212-G216 PolarHBondContact O-N 3.35Å; A212-G216 VanDerWaalsContact O-N 3.09Å; A212-D217 HydrophobicContact CB-CB 4.06Å; A212-D217 WeakPolarHBondContact O-CB 3.3Å; A212-D217 PolarHBondContact O-N 3.32Å; A212-V219 HydrophobicContact CB-CG2 4.18Å
213R95.1Very high97Very high67 Ų6741.1 Ų41.125%0.25321%0.21SC..Hα-helixtrans-59.3-45.3173.8-177.5-167.867.379.61.1111.8M1 L209 D210 Q211 R215 G216 Y259M1-R213 WeakPolarHBondContact CE-O 3.49Å; L209-R213 PolarHBondContact O-N 2.83Å; D210-R213 WeakPolarHBondContact O-CB 3.4Å; D210-R213 PolarHBondContact O-N 2.87Å; D210-R213 IonicContact OD1-CZ 3.15Å; D210-R213 VanDerWaalsContact OD1-CZ 3.31Å; D210-R213 IonicContact OD1-NE 3.31Å; D210-R213 PolarHBondContact OD1-NE 2.89Å; D210-R213 IonicContact OD1-NH2 3.94Å; D210-R213 PolarHBondContact OD1-NH2 3Å; D210-R213 IonicContact OD2-NH2 2.77Å; Q211-R213 VanDerWaalsContact C-N 3.3Å; Q211-R213 PolarHBondContact O-N 2.85Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 2.82Å; R213-G216 PolarHBondContact O-N 2.83Å; R213-G216 VanDerWaalsContact O-N 3.07Å; R213-Y259 VanDerWaalsContact CD-CD1 3.47Å; R213-Y259 VanDerWaalsContact CD-CG 3.48Å
214Q95.5Very high96.8Very high123 Ų12339 Ų3958%0.57520%0.197SC*.Hα-helixtrans-62.6-33.4179-68.9176.526.200112.6D210 Q211 A212 G216D210-Q214 WeakPolarHBondContact O-CG 3.3Å; D210-Q214 PolarHBondContact O-N 2.99Å; D210-Q214 PolarHBondContact OD2-NE2 3.18Å; Q211-Q214 PolarHBondContact O-N 2.77Å; Q211-Q214 VanDerWaalsContact O-N 3.16Å; A212-Q214 PolarHBondContact O-N 2.92Å; Q214-G216 VanDerWaalsContact C-N 3.32Å
215R95.7Very high96.5Very high122 Ų12235.3 Ų35.346%0.4618%0.177SC..Hα-helixtrans-77.3-14.6174.4-67.2-173.3-57.2-95.7-1114Y30 Q211 A212 R213 D217Y30-R215 PolarHBondContact OH-NH2 3.36Å; Y30-R215 VanDerWaalsContact OH-NH2 3.08Å; Q211-R215 WeakPolarHBondContact O-CG 3.26Å; Q211-R215 PolarHBondContact O-N 3.17Å; A212-R215 PolarHBondContact O-N 3.35Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 2.82Å; R215-D217 IonicContact CZ-OD2 2.62Å; R215-D217 VanDerWaalsContact CZ-OD2 3.3Å; R215-D217 IonicContact NE-OD2 3.95Å; R215-D217 PolarHBondContact NE-OD2 2.98Å; R215-D217 IonicContact NH2-OD2 3.72Å; R215-D217 PolarHBondContact NH2-OD2 3.01Å
216G94.7Very high96.3Very high31 Ų3135.3 Ų35.332%0.3218%0.177SC..THydrogen-bonded Turntrans77.822.1-173.600000113.8M1 A212 R213 Q214M1-G216 VanDerWaalsContact CE-CA 3.4Å; A212-G216 PolarHBondContact O-N 3.35Å; A212-G216 VanDerWaalsContact O-N 3.09Å; R213-G216 PolarHBondContact O-N 2.83Å; R213-G216 VanDerWaalsContact O-N 3.07Å; Q214-G216 VanDerWaalsContact C-N 3.32Å
217D95.8Very high96.2Very high44 Ų4432.9 Ų32.924%0.23516%0.16CC..  trans-67.3141.1172.8-67.4-34.8000110.1K29 Y30 A212 R215K29-D217 HydrophobicContact CB-CB 4.01Å; K29-D217 HydrophobicContact CG-CB 4.29Å; Y30-D217 HydrophobicContact CD2-CB 4.39Å; Y30-D217 HydrophobicContact CE2-CB 4.16Å; A212-D217 HydrophobicContact CB-CB 4.06Å; A212-D217 WeakPolarHBondContact O-CB 3.3Å; A212-D217 PolarHBondContact O-N 3.32Å; R215-D217 IonicContact CZ-OD2 2.62Å; R215-D217 VanDerWaalsContact CZ-OD2 3.3Å; R215-D217 IonicContact NE-OD2 3.95Å; R215-D217 PolarHBondContact NE-OD2 2.98Å; R215-D217 IonicContact NH2-OD2 3.72Å; R215-D217 PolarHBondContact NH2-OD2 3.01Å
218F94.3Very high96.1Very high46 Ų4629.3 Ų29.320%0.20214%0.141CC..  trans-78124.3173.8-68.5-49.7000111.4R27 K29 Y30 F430R27-F218 WeakPolarHBondContact O-CD2 3.43Å; K29-F218 PolarHBondContact N-O 2.83Å; Y30-F218 PolarHBondContact N-O 3.46Å; F218-F430 HydrophobicContact CB-CD1 3.83Å; F218-F430 HydrophobicContact CB-CE1 3.65Å; F218-F430 HydrophobicContact CB-CZ 4.46Å; F218-F430 HydrophobicContact CD1-CB 4.43Å; F218-F430 AromaticContact CD1-CD1 3.52Å; F218-F430 HydrophobicContact CD1-CD1 3.52Å; F218-F430 HydrophobicContact CD1-CE1 4.2Å; F218-F430 HydrophobicContact CD1-CG 4.32Å; F218-F430 HydrophobicContact CD2-CD1 4.48Å; F218-F430 HydrophobicContact CE1-CB 4.33Å; F218-F430 HydrophobicContact CE1-CD1 4.22Å; F218-F430 AromaticContact CG-CD1 3.69Å; F218-F430 HydrophobicContact CG-CD1 3.69Å; F218-F430 HydrophobicContact CG-CE1 4.06Å; F218-F430 HydrophobicContact CG-CG 4.41Å
219V97.2Very high95.9Very high1 Ų129.3 Ų29.31%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-111.7130.6174.5-172.10000109.7N4 V5 Y30 V32 L209 A212 F221N4-V219 WeakPolarHBondContact CA-O 3.23Å; N4-V219 WeakPolarHBondContact OD1-CB 3.43Å; N4-V219 PolarHBondContact OD1-N 3.3Å; V5-V219 PolarHBondContact N-O 3.04Å; Y30-V219 HydrophobicContact CD2-CG2 4.19Å; V32-V219 HydrophobicContact CG2-CG1 3.81Å; L209-V219 HydrophobicContact CD2-CG1 3.92Å; L209-V219 HydrophobicContact CD2-CG2 4.32Å; A212-V219 HydrophobicContact CB-CG2 4.18Å; V219-F221 HydrophobicContact CB-CE2 4.11Å; V219-F221 HydrophobicContact CB-CZ 4.38Å; V219-F221 HydrophobicContact CG1-CD2 4.25Å; V219-F221 HydrophobicContact CG1-CE1 4.18Å; V219-F221 HydrophobicContact CG1-CE2 3.57Å; V219-F221 HydrophobicContact CG1-CZ 3.52Å
220M97.5Very high95.8Very high0 Ų029.3 Ų29.30%014%0.141CC..EExtended strand (participates in β ladder)trans-110134.8169.7178.9162.847.500110.9V5 V7 V21 L24 T25 A28 Y30 V31 V32 F430V5-M220 CarbonylContact O-C 3.42Å; V5-M220 VanDerWaalsContact O-CA 3.26Å; V5-M220 WeakPolarHBondContact O-CA 3.35Å; V7-M220 HydrophobicContact CG2-CG 4.11Å; V7-M220 HydrophobicContact CG2-SD 3.71Å; V21-M220 HydrophobicContact CB-CE 4.47Å; V21-M220 HydrophobicContact CG1-CE 3.66Å; V21-M220 HydrophobicContact CG1-SD 4.13Å; V21-M220 WeakPolarHBondContact O-CE 3.38Å; L24-M220 HydrophobicContact CB-CE 4.05Å; L24-M220 HydrophobicContact CB-SD 3.8Å; L24-M220 HydrophobicContact CD1-SD 4.34Å; T25-M220 HydrophobicContact CG2-CE 3.56Å; A28-M220 HydrophobicContact CB-CB 4.19Å; A28-M220 HydrophobicContact CB-CE 4.39Å; Y30-M220 PolarHBondContact O-N 2.81Å; V31-M220 CarbonylContact C-O 3.22Å; V31-M220 VanDerWaalsContact CA-O 3.3Å; V31-M220 WeakPolarHBondContact CA-O 3.43Å; V31-M220 HydrophobicContact CG2-CB 4.38Å; V31-M220 HydrophobicContact CG2-CE 3.9Å; V32-M220 PolarHBondContact N-O 3.3Å; M220-F430 HydrophobicContact CB-CZ 4.35Å
221F98Very high95.8Very high0 Ų029.4 Ų29.40%014%0.141CC..EExtended strand (participates in β ladder)trans-105.5118.8175.2-62.8-87.9000109.8N4 V5 V6 V7 V32 Y34 L209 V219 V249 L255N4-F221 HydrophobicContact CB-CE2 4.26Å; V5-F221 PolarHBondContact O-N 3.37Å; V6-F221 HydrophobicContact CB-CB 4.41Å; V6-F221 HydrophobicContact CG1-CB 4.29Å; V6-F221 HydrophobicContact CG2-CB 4.1Å; V6-F221 HydrophobicContact CG2-CD2 4.09Å; V6-F221 HydrophobicContact CG2-CG 4.39Å; V7-F221 PolarHBondContact N-O 3.07Å; V32-F221 HydrophobicContact CB-CD1 3.69Å; V32-F221 HydrophobicContact CB-CE1 3.88Å; V32-F221 HydrophobicContact CG1-CD1 4.1Å; V32-F221 HydrophobicContact CG1-CE1 4.11Å; V32-F221 HydrophobicContact CG2-CD1 4.22Å; V32-F221 HydrophobicContact CG2-CE1 3.99Å; V32-F221 CarbonylContact O-C 3.5Å; V32-F221 WeakPolarHBondContact O-CA 3.45Å; Y34-F221 HydrophobicContact CD1-CB 4.04Å; Y34-F221 HydrophobicContact CE1-CB 4.23Å; L209-F221 HydrophobicContact CD1-CE1 4.07Å; L209-F221 HydrophobicContact CD1-CZ 4.28Å; V219-F221 HydrophobicContact CB-CE2 4.11Å; V219-F221 HydrophobicContact CB-CZ 4.38Å; V219-F221 HydrophobicContact CG1-CD2 4.25Å; V219-F221 HydrophobicContact CG1-CE1 4.18Å; V219-F221 HydrophobicContact CG1-CE2 3.57Å; V219-F221 HydrophobicContact CG1-CZ 3.52Å; F221-V249 HydrophobicContact CB-CG1 4.3Å; F221-V249 HydrophobicContact CB-CG2 3.98Å; F221-V249 HydrophobicContact CD1-CG1 3.46Å; F221-V249 VanDerWaalsContact CD1-CG1 3.46Å; F221-V249 HydrophobicContact CD1-CG2 4.48Å; F221-V249 HydrophobicContact CD2-CG1 3.97Å; F221-V249 HydrophobicContact CE1-CG1 3.68Å; F221-V249 HydrophobicContact CE2-CG1 4.17Å; F221-V249 HydrophobicContact CG-CG1 3.62Å; F221-V249 HydrophobicContact CG-CG2 4.22Å; F221-V249 HydrophobicContact CZ-CG1 4.04Å; F221-L255 HydrophobicContact CE1-CD2 4.45Å; F221-L255 HydrophobicContact CE2-CD2 3.7Å; F221-L255 HydrophobicContact CZ-CB 4.2Å; F221-L255 HydrophobicContact CZ-CD1 4.24Å; F221-L255 HydrophobicContact CZ-CD2 3.57Å; F221-L255 HydrophobicContact CZ-CG 4.2Å
222E96.9Very high95.7Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-94.7111-178.5177.3174.5-156.600110.1V21 V31 V32 R33 H42 P57 S58V21-E222 HydrophobicContact CG1-CB 4.48Å; V21-E222 HydrophobicContact CG1-CG 4.42Å; V21-E222 HydrophobicContact CG2-CG 4.11Å; V31-E222 HydrophobicContact CG1-CB 4.3Å; V32-E222 PolarHBondContact O-N 3.45Å; R33-E222 WeakPolarHBondContact CD-O 3.39Å; R33-E222 HydrophobicContact CG-CB 4.44Å; R33-E222 HydrophobicContact CG-CG 4.47Å; H42-E222 IonicContact CE1-OE1 3.23Å; H42-E222 PolarHBondContact CE1-OE1 3.3Å; H42-E222 IonicContact CG-OE1 2.9Å; H42-E222 IonicContact ND1-OE1 2.71Å; H42-E222 PolarHBondContact ND1-OE1 3.26Å; P57-E222 WeakPolarHBondContact CA-OE2 3.48Å; P57-E222 WeakPolarHBondContact CB-OE2 3.39Å; S58-E222 WeakPolarHBondContact CB-OE1 3.37Å; S58-E222 PolarHBondContact N-OE2 3.11Å; S58-E222 PolarHBondContact OG-OE1 2.8Å
223G95.9Very high95.6Very high0 Ų035.6 Ų35.60%017%0.173CC..  trans-80.7140.917300000112.2V7 K17 Y34 Q35V7-G223 WeakPolarHBondContact O-CA 3.49Å; V7-G223 PolarHBondContact O-N 3.07Å; K17-G223 VanDerWaalsContact CD-O 3.26Å; K17-G223 WeakPolarHBondContact CD-O 3.25Å; K17-G223 WeakPolarHBondContact CE-O 3.44Å; Y34-G223 VanDerWaalsContact CE1-CA 3.49Å; Y34-G223 WeakPolarHBondContact OH-CA 3.47Å; Q35-G223 VanDerWaalsContact NE2-CA 3.34Å
224A92.8Very high95.5Very high1 Ų132.9 Ų32.91%0.00817%0.166CC..  trans-99.3159.2167.200000110.9Q35 A40Q35-A224 PolarHBondContact NE2-O 2.81Å; A40-A224 HydrophobicContact CB-CB 3.9Å
225Q92.3Very high95.4Very high21 Ų2127 Ų2710%0.09814%0.139CC..SBendtrans57.2-148.9-177.2-61.677.645.500112.1K17 N39 L229 T240 T244K17-Q225 WeakPolarHBondContact CE-O 3.47Å; K17-Q225 PolarHBondContact NZ-O 2.99Å; N39-Q225 PolarHBondContact OD1-NE2 2.82Å; Q225-L229 HydrophobicContact CB-CD1 4.14Å; Q225-L229 HydrophobicContact CG-CD1 4.48Å; Q225-T240 HydrophobicContact CG-CG2 4.47Å; Q225-T244 HydrophobicContact CB-CG2 3.83Å
226G94.6Very high95.3Very high0 Ų028.1 Ų28.10%014%0.144CC..  trans-148.8158.1179.700000110.8G9 Q11 L228 L229 T244G9-G226 CarbonylContact O-C 3.5Å; G9-G226 WeakPolarHBondContact O-CA 2.83Å; Q11-G226 CarbonylContact O-C 3.58Å; Q11-G226 WeakPolarHBondContact O-CA 3.24Å; G226-L228 PolarHBondContact O-N 2.82Å; G226-L229 WeakPolarHBondContact O-CA 3.3Å; G226-L229 WeakPolarHBondContact O-CB 3.39Å; G226-L229 PolarHBondContact O-N 2.51Å; G226-T244 PolarHBondContact O-OG1 3.49Å
227T97.1Very high95.2Very high0 Ų029 Ų290%014%0.143CC..G310 helixtrans-48.1-38.8-172.9-64.90000113.5G9 Q11 L229 D230 T245 A319 L322 N323G9-T227 PolarHBondContact O-N 2.85Å; G9-T227 PolarHBondContact O-OG1 2.83Å; Q11-T227 PolarHBondContact O-N 3.1Å; T227-L229 PolarHBondContact O-N 2.94Å; T227-D230 WeakPolarHBondContact O-CB 3.22Å; T227-D230 PolarHBondContact O-N 2.83Å; T227-T245 HydrophobicContact CG2-CG2 4.03Å; T227-A319 HydrophobicContact CG2-CB 3.8Å; T227-L322 HydrophobicContact CG2-CD1 3.98Å; T227-N323 PolarHBondContact OG1-ND2 2.91Å
228L95.2Very high95Very high3 Ų330.7 Ų30.72%0.01615%0.147CC..G310 helixtrans-81.32.4-176.7-58.2171.6000113.4Q11 W12 G226 G234 T235 A315Q11-L228 WeakPolarHBondContact O-CB 3.49Å; Q11-L228 PolarHBondContact O-N 2.8Å; W12-L228 VanDerWaalsContact CD1-CB 3.48Å; W12-L228 HydrophobicContact CD2-CB 4.27Å; W12-L228 HydrophobicContact CD2-CD1 3.93Å; W12-L228 VanDerWaalsContact CE2-CD1 3.5Å; W12-L228 HydrophobicContact CE3-CD1 4.3Å; W12-L228 HydrophobicContact CG-CB 4.06Å; W12-L228 HydrophobicContact CH2-CD1 3.92Å; W12-L228 HydrophobicContact CZ2-CD1 3.52Å; W12-L228 HydrophobicContact CZ3-CD1 4.27Å; W12-L228 VanDerWaalsContact NE1-CB 3.35Å; G226-L228 PolarHBondContact O-N 2.82Å; L228-G234 VanDerWaalsContact C-CA 3.47Å; L228-G234 CarbonylContact O-C 3.54Å; L228-G234 WeakPolarHBondContact O-CA 3.27Å; L228-T235 PolarHBondContact O-N 3.15Å; L228-T235 PolarHBondContact O-OG1 3.22Å; L228-A315 HydrophobicContact CD1-CB 3.55Å
229L94.7Very high94.9Very high29 Ų2929.5 Ų29.515%0.15214%0.144CC..G310 helixtrans-104.36.7165.9-59.4178.3000112.4W12 Q225 G226 T227 V239 T240W12-L229 HydrophobicContact CB-CD2 4.3Å; W12-L229 HydrophobicContact CB-CG 4.23Å; W12-L229 VanDerWaalsContact O-CD1 3.22Å; W12-L229 WeakPolarHBondContact O-CD1 3.39Å; Q225-L229 HydrophobicContact CB-CD1 4.14Å; Q225-L229 HydrophobicContact CG-CD1 4.48Å; G226-L229 WeakPolarHBondContact O-CA 3.3Å; G226-L229 WeakPolarHBondContact O-CB 3.39Å; G226-L229 PolarHBondContact O-N 2.51Å; T227-L229 PolarHBondContact O-N 2.94Å; L229-V239 WeakPolarHBondContact O-CB 3.31Å; L229-T240 WeakPolarHBondContact O-CG2 3.33Å; L229-T240 PolarHBondContact O-N 3.27Å
230D96.5Very high94.7Very high0 Ų030.3 Ų30.30%015%0.149CC..  trans-60140.3175.4-170.4-79.6000110.8T227 D232 H233 G234 V239 N243 T244 T245T227-D230 WeakPolarHBondContact O-CB 3.22Å; T227-D230 PolarHBondContact O-N 2.83Å; D230-D232 VanDerWaalsContact C-N 3.26Å; D230-D232 PolarHBondContact O-N 2.8Å; D230-D232 PolarHBondContact OD1-N 2.8Å; D230-H233 HydrophobicContact CB-CB 4.14Å; D230-H233 IonicContact OD1-CD2 3.03Å; D230-H233 IonicContact OD1-CG 3.64Å; D230-H233 PolarHBondContact OD1-N 3.35Å; D230-H233 VanDerWaalsContact OD1-N 3.07Å; D230-G234 VanDerWaalsContact O-CA 3.25Å; D230-G234 WeakPolarHBondContact O-CA 3.19Å; D230-G234 PolarHBondContact O-N 3.37Å; D230-V239 WeakPolarHBondContact O-CB 3.29Å; D230-V239 VanDerWaalsContact O-CG1 3.24Å; D230-V239 WeakPolarHBondContact O-CG1 3.42Å; D230-N243 PolarHBondContact OD1-ND2 2.85Å; D230-N243 VanDerWaalsContact OD1-ND2 3.12Å; D230-N243 WeakPolarHBondContact OD2-CA 3.39Å; D230-N243 WeakPolarHBondContact OD2-CB 3.4Å; D230-N243 PolarHBondContact OD2-ND2 2.75Å; D230-T244 VanDerWaalsContact CA-OG1 3.27Å; D230-T244 WeakPolarHBondContact CA-OG1 3.47Å; D230-T244 VanDerWaalsContact CB-OG1 3.31Å; D230-T244 WeakPolarHBondContact CB-OG1 3.44Å; D230-T244 PolarHBondContact N-OG1 3.1Å; D230-T244 PolarHBondContact OD2-N 2.96Å; D230-T245 HydrophobicContact CB-CG2 4.39Å; D230-T245 WeakPolarHBondContact OD2-CG2 3.1Å; D230-T245 PolarHBondContact OD2-N 2.91Å; D230-T245 PolarHBondContact OD2-OG1 3.24Å
231I96.4Very high94.6Very high59 Ų5932.4 Ų32.430%0.30316%0.164SC..THydrogen-bonded Turntrans-61.3-34-177.2-166.4178.7000113.1T240 S242I231-T240 WeakPolarHBondContact CB-O 3.34Å; I231-S242 PolarHBondContact N-O 3.3Å
232D95.8Very high94.6Very high109 Ų10932.9 Ų32.958%0.58317%0.167SC*.THydrogen-bonded Turntrans-98.1-37.3-177.7-65.1-67.2000111.9D230 N243D230-D232 VanDerWaalsContact C-N 3.26Å; D230-D232 PolarHBondContact O-N 2.8Å; D230-D232 PolarHBondContact OD1-N 2.8Å; D232-N243 PolarHBondContact OD2-ND2 3.14Å
233H95.6Very high94.7Very high91 Ų9135.3 Ų35.342%0.42118%0.18SC..THydrogen-bonded Turntrans-112.5-4.6-168-56.6-47.8000114.9D230 L322D230-H233 HydrophobicContact CB-CB 4.14Å; D230-H233 IonicContact OD1-CD2 3.03Å; D230-H233 IonicContact OD1-CG 3.64Å; D230-H233 PolarHBondContact OD1-N 3.35Å; D230-H233 VanDerWaalsContact OD1-N 3.07Å; H233-L322 HydrophobicContact CB-CD1 3.55Å; H233-L322 HydrophobicContact CB-CD2 4.24Å
234G94.1Very high94.8Very high10 Ų1035.3 Ų35.310%0.10318%0.18CC..SBendtrans-83.4-170.1177.300000113.3L228 D230 Y236L228-G234 VanDerWaalsContact C-CA 3.47Å; L228-G234 CarbonylContact O-C 3.54Å; L228-G234 WeakPolarHBondContact O-CA 3.27Å; D230-G234 VanDerWaalsContact O-CA 3.25Å; D230-G234 WeakPolarHBondContact O-CA 3.19Å; D230-G234 PolarHBondContact O-N 3.37Å; G234-Y236 PolarHBondContact O-N 3Å
235T92.5Very high95Very high1 Ų135.7 Ų35.71%0.00618%0.182CC..SBendtrans-77.357.3178.653.10000112.6L228 Y238 R273 P278 W366L228-T235 PolarHBondContact O-N 3.15Å; L228-T235 PolarHBondContact O-OG1 3.22Å; T235-Y238 WeakPolarHBondContact O-CA 3.44Å; T235-Y238 WeakPolarHBondContact O-CB 3.08Å; T235-Y238 PolarHBondContact O-N 3.5Å; T235-Y238 PolarHBondContact OG1-O 3.32Å; T235-R273 PolarHBondContact OG1-NH1 3.4Å; T235-R273 PolarHBondContact OG1-NH2 2.97Å; T235-R273 VanDerWaalsContact OG1-NH2 3.09Å; T235-P278 HydrophobicContact CG2-CG 3.81Å; T235-W366 HydrophobicContact CG2-CH2 4.17Å; T235-W366 HydrophobicContact CG2-CZ2 3.77Å
236Y93.7Very high95.3Very high145 Ų14535 Ų3557%0.56918%0.18SC*.THydrogen-bonded Turntrans-54.7132.2-175.6-179.4-85.1000111.5G234 V239 A363G234-Y236 PolarHBondContact O-N 3Å; Y236-V239 HydrophobicContact CD2-CG2 3.83Å; Y236-A363 WeakPolarHBondContact O-CB 3.44Å
237P92.1Very high95.5Very high48 Ų4837.5 Ų37.531%0.31221%0.206SC..THydrogen-bonded Turncis-91.24.413.736.3-37.5000115.2V239P237-V239 PolarHBondContact O-N 3.45Å
238Y91.7Very high95.6Very high80 Ų8037.7 Ų37.731%0.31421%0.208SC..SBendtrans-8660.6-176.2-50.1-81.6000111.3T235 R273 A276 G277 A363T235-Y238 WeakPolarHBondContact O-CA 3.44Å; T235-Y238 WeakPolarHBondContact O-CB 3.08Å; T235-Y238 PolarHBondContact O-N 3.5Å; T235-Y238 PolarHBondContact OG1-O 3.32Å; Y238-R273 PolarHBondContact O-NH2 3.1Å; Y238-A276 HydrophobicContact CD1-CB 3.9Å; Y238-A276 HydrophobicContact CE1-CB 3.92Å; Y238-G277 VanDerWaalsContact CD2-CA 3.45Å; Y238-A363 HydrophobicContact CE2-CB 4.37Å
239V93Very high95.7Very high21 Ų2137.6 Ų37.613%0.12721%0.207CC..SBendtrans-136.2169-171-65.80000110.3L229 D230 Y236 P237L229-V239 WeakPolarHBondContact O-CB 3.31Å; D230-V239 WeakPolarHBondContact O-CB 3.29Å; D230-V239 VanDerWaalsContact O-CG1 3.24Å; D230-V239 WeakPolarHBondContact O-CG1 3.42Å; Y236-V239 HydrophobicContact CD2-CG2 3.83Å; P237-V239 PolarHBondContact O-N 3.45Å
240T93.1Very high95.9Very high19 Ų1937.2 Ų37.212%0.11721%0.208CC..  trans-80.8173.9167.8-171.80000110.5Q225 L229 I231 S242 T244Q225-T240 HydrophobicContact CG-CG2 4.47Å; L229-T240 WeakPolarHBondContact O-CG2 3.33Å; L229-T240 PolarHBondContact O-N 3.27Å; I231-T240 WeakPolarHBondContact CB-O 3.34Å; T240-S242 VanDerWaalsContact C-N 3.31Å; T240-S242 WeakPolarHBondContact CG2-O 3.38Å; T240-S242 PolarHBondContact O-N 2.88Å; T240-T244 HydrophobicContact CG2-CG2 3.52Å
241S95.7Very high96Very high44 Ų4442.1 Ų42.131%0.30824%0.238SC..SBendtrans-9421.6-178.5-520000113.6G135 Y138G135-S241 WeakPolarHBondContact CA-OG 3.33Å; Y138-S241 WeakPolarHBondContact CD2-O 3.35Å
242S97.3Very high96.1Very high9 Ų939.4 Ų39.46%0.06323%0.225CC..SBendtrans-140.9155.9-178.360.40000111I231 T240 T244I231-S242 PolarHBondContact N-O 3.3Å; T240-S242 VanDerWaalsContact C-N 3.31Å; T240-S242 WeakPolarHBondContact CG2-O 3.38Å; T240-S242 PolarHBondContact O-N 2.88Å; S242-T244 PolarHBondContact O-N 3.32Å
243N98.4Very high96.3Very high52 Ų5234.2 Ų34.228%0.27820%0.197SC..  trans-70.3128.7168.2-60.9105.3000110.3Q35 D230 D232Q35-N243 WeakPolarHBondContact CG-O 3.3Å; D230-N243 PolarHBondContact OD1-ND2 2.85Å; D230-N243 VanDerWaalsContact OD1-ND2 3.12Å; D230-N243 WeakPolarHBondContact OD2-CA 3.39Å; D230-N243 WeakPolarHBondContact OD2-CB 3.4Å; D230-N243 PolarHBondContact OD2-ND2 2.75Å; D232-N243 PolarHBondContact OD2-ND2 3.14Å
244T97.8Very high96.4Very high0 Ų031.6 Ų31.60%020%0.195CC..  trans-107.7-1.2179.557.30000112.1Q225 G226 D230 T240 S242Q225-T244 HydrophobicContact CB-CG2 3.83Å; G226-T244 PolarHBondContact O-OG1 3.49Å; D230-T244 VanDerWaalsContact CA-OG1 3.27Å; D230-T244 WeakPolarHBondContact CA-OG1 3.47Å; D230-T244 VanDerWaalsContact CB-OG1 3.31Å; D230-T244 WeakPolarHBondContact CB-OG1 3.44Å; D230-T244 PolarHBondContact N-OG1 3.1Å; D230-T244 PolarHBondContact OD2-N 2.96Å; T240-T244 HydrophobicContact CG2-CG2 3.52Å; S242-T244 PolarHBondContact O-N 3.32Å
245T98.4Very high96.6Very high9 Ų931.5 Ų31.56%0.05519%0.192CC..SBendtrans-78.8164.5174.453.20000112.3T227 D230 G247 G248 L322 N323T227-T245 HydrophobicContact CG2-CG2 4.03Å; D230-T245 HydrophobicContact CB-CG2 4.39Å; D230-T245 WeakPolarHBondContact OD2-CG2 3.1Å; D230-T245 PolarHBondContact OD2-N 2.91Å; D230-T245 PolarHBondContact OD2-OG1 3.24Å; T245-G247 PolarHBondContact O-N 3.32Å; T245-G248 PolarHBondContact O-N 2.9Å; T245-L322 HydrophobicContact CG2-CB 4.28Å; T245-N323 WeakPolarHBondContact CA-OD1 3.32Å; T245-N323 WeakPolarHBondContact CB-OD1 3.34Å
246A98.5Very high96.8Very high6 Ų632.8 Ų32.85%0.0521%0.205CC..THydrogen-bonded Turntrans-57.9-28.4176.200000112.7V6 L8 G248 V249 V263 N323V6-A246 HydrophobicContact CG1-CB 4.29Å; L8-A246 HydrophobicContact CD2-CB 3.66Å; A246-G248 PolarHBondContact O-N 3Å; A246-V249 VanDerWaalsContact O-CB 3.27Å; A246-V249 WeakPolarHBondContact O-CB 3.26Å; A246-V249 VanDerWaalsContact O-CG2 3.32Å; A246-V249 WeakPolarHBondContact O-CG2 3.33Å; A246-V249 PolarHBondContact O-N 3.29Å; A246-V263 HydrophobicContact CB-CG1 3.8Å; A246-V263 HydrophobicContact CB-CG2 4.08Å; A246-N323 HydrophobicContact CB-CB 4.3Å; A246-N323 PolarHBondContact N-OD1 2.74Å
247G98.3Very high97Very high53 Ų5330.8 Ų30.855%0.54621%0.21SC..THydrogen-bonded Turntrans-58.7-26.9174.300000113.3T245 V249T245-G247 PolarHBondContact O-N 3.32Å; G247-V249 PolarHBondContact O-N 3.49Å
248G98.5Very high97.3Very high4 Ų437.8 Ų37.84%0.04123%0.23CC..Hα-helixtrans-64.8-20.7175.100000114Y34 T245 A246 A250 T251 G252Y34-G248 VanDerWaalsContact CD2-C 3.44Å; T245-G248 PolarHBondContact O-N 2.9Å; A246-G248 PolarHBondContact O-N 3Å; G248-A250 PolarHBondContact O-N 3.36Å; G248-T251 PolarHBondContact O-OG1 2.83Å; G248-G252 WeakPolarHBondContact O-CA 3.45Å; G248-G252 PolarHBondContact O-N 3.37Å
249V98.6Very high97.5Very high0 Ų036.6 Ų36.60%023%0.226CC..Hα-helixtrans-60.5-48.4-178.5170.20000111.2V6 Y34 F221 A246 G247 G252 S253 L255 V260V6-V249 HydrophobicContact CB-CG2 4.43Å; V6-V249 HydrophobicContact CG1-CG2 3.69Å; V6-V249 HydrophobicContact CG2-CG2 3.82Å; Y34-V249 HydrophobicContact CD1-CG2 3.77Å; Y34-V249 HydrophobicContact CD2-CG2 4.14Å; Y34-V249 HydrophobicContact CE1-CG2 3.67Å; Y34-V249 HydrophobicContact CE2-CG2 4.07Å; Y34-V249 HydrophobicContact CG-CG2 4Å; F221-V249 HydrophobicContact CB-CG1 4.3Å; F221-V249 HydrophobicContact CB-CG2 3.98Å; F221-V249 HydrophobicContact CD1-CG1 3.46Å; F221-V249 VanDerWaalsContact CD1-CG1 3.46Å; F221-V249 HydrophobicContact CD1-CG2 4.48Å; F221-V249 HydrophobicContact CD2-CG1 3.97Å; F221-V249 HydrophobicContact CE1-CG1 3.68Å; F221-V249 HydrophobicContact CE2-CG1 4.17Å; F221-V249 HydrophobicContact CG-CG1 3.62Å; F221-V249 HydrophobicContact CG-CG2 4.22Å; F221-V249 HydrophobicContact CZ-CG1 4.04Å; A246-V249 VanDerWaalsContact O-CB 3.27Å; A246-V249 WeakPolarHBondContact O-CB 3.26Å; A246-V249 VanDerWaalsContact O-CG2 3.32Å; A246-V249 WeakPolarHBondContact O-CG2 3.33Å; A246-V249 PolarHBondContact O-N 3.29Å; G247-V249 PolarHBondContact O-N 3.49Å; V249-G252 PolarHBondContact O-N 2.66Å; V249-S253 WeakPolarHBondContact O-CB 3.32Å; V249-S253 PolarHBondContact O-N 3.2Å; V249-S253 PolarHBondContact O-OG 3.14Å; V249-L255 HydrophobicContact CG1-CD2 4.07Å; V249-V260 HydrophobicContact CB-CG2 4.46Å; V249-V260 HydrophobicContact CG1-CG2 4.23Å
250A98.5Very high97.7Very high22 Ų2237.4 Ų37.418%0.18223%0.231CC..Hα-helixtrans-63.7-52.3-177.400000111G248 G252 G254 L255 P257G248-A250 PolarHBondContact O-N 3.36Å; A250-G252 VanDerWaalsContact C-N 3.28Å; A250-G252 PolarHBondContact O-N 2.59Å; A250-G254 WeakPolarHBondContact O-CA 3.4Å; A250-G254 PolarHBondContact O-N 3.03Å; A250-L255 VanDerWaalsContact CA-O 3.27Å; A250-L255 WeakPolarHBondContact CA-O 3.4Å; A250-L255 VanDerWaalsContact CB-O 3.26Å; A250-L255 WeakPolarHBondContact CB-O 3.13Å; A250-P257 HydrophobicContact CB-CB 4.17Å
251T98.5Very high97.9Very high102 Ų10239.7 Ų39.763%0.62624%0.242SC*.Hα-helixtrans-68.1-26.9179.852.20000113.7N71 G248N71-T251 PolarHBondContact ND2-O 2.67Å; G248-T251 PolarHBondContact O-OG1 2.83Å
252G98.7Very high98.1Very high2 Ų237.9 Ų37.92%0.02123%0.229CC..Hα-helixtrans-94.6-8.2-173.700000115.2Y34 G70 N71 G72 G248 V249 A250Y34-G252 VanDerWaalsContact O-CA 3.3Å; Y34-G252 WeakPolarHBondContact O-CA 3.42Å; G70-G252 CarbonylContact C-O 3.47Å; G70-G252 WeakPolarHBondContact CA-O 3.46Å; N71-G252 PolarHBondContact N-O 2.83Å; N71-G252 PolarHBondContact OD1-O 3.34Å; G72-G252 PolarHBondContact N-O 3.26Å; G248-G252 WeakPolarHBondContact O-CA 3.45Å; G248-G252 PolarHBondContact O-N 3.37Å; V249-G252 PolarHBondContact O-N 2.66Å; A250-G252 VanDerWaalsContact C-N 3.28Å; A250-G252 PolarHBondContact O-N 2.59Å
253S98.6Very high98.1Very high0 Ų037.6 Ų37.60%023%0.226CC..Hα-helixtrans-133.3-19.4177.568.60000114.9N71 V249 L255N71-S253 WeakPolarHBondContact OD1-CA 3.47Å; N71-S253 PolarHBondContact OD1-N 2.83Å; V249-S253 WeakPolarHBondContact O-CB 3.32Å; V249-S253 PolarHBondContact O-N 3.2Å; V249-S253 PolarHBondContact O-OG 3.14Å; S253-L255 WeakPolarHBondContact OG-CB 3.49Å; S253-L255 PolarHBondContact OG-N 2.82Å
254G98Very high98.1Very high37 Ų3735.1 Ų35.138%0.38121%0.213SC..  trans861.5-171.900000114.7S206 A250 G256S206-G254 WeakPolarHBondContact OG-CA 3.4Å; A250-G254 WeakPolarHBondContact O-CA 3.4Å; A250-G254 PolarHBondContact O-N 3.03Å; G254-G256 PolarHBondContact O-N 2.78Å
255L98.1Very high98.2Very high8 Ų835.1 Ų35.14%0.04221%0.213CC..  trans-59.7132.9172.8-17378.4000110.7L209 F221 V249 A250 S253 V260L209-L255 HydrophobicContact CB-CD1 4.44Å; F221-L255 HydrophobicContact CE1-CD2 4.45Å; F221-L255 HydrophobicContact CE2-CD2 3.7Å; F221-L255 HydrophobicContact CZ-CB 4.2Å; F221-L255 HydrophobicContact CZ-CD1 4.24Å; F221-L255 HydrophobicContact CZ-CD2 3.57Å; F221-L255 HydrophobicContact CZ-CG 4.2Å; V249-L255 HydrophobicContact CG1-CD2 4.07Å; A250-L255 VanDerWaalsContact CA-O 3.27Å; A250-L255 WeakPolarHBondContact CA-O 3.4Å; A250-L255 VanDerWaalsContact CB-O 3.26Å; A250-L255 WeakPolarHBondContact CB-O 3.13Å; S253-L255 WeakPolarHBondContact OG-CB 3.49Å; S253-L255 PolarHBondContact OG-N 2.82Å; L255-V260 HydrophobicContact CD2-CG2 4.13Å
256G97.6Very high98.1Very high27 Ų2734.7 Ų34.728%0.27821%0.21SC..  trans-58.1132.7172.200000111.4G254 R258 Y259G254-G256 PolarHBondContact O-N 2.78Å; G256-R258 PolarHBondContact O-N 3.12Å; G256-Y259 PolarHBondContact O-N 3.04Å
257P97.8Very high98.1Very high104 Ų10434.4 Ų34.468%0.67521%0.208SC*.G310 helixtrans-65.3-14.2-171.325.3-35.6000114.4A250 Y259A250-P257 HydrophobicContact CB-CB 4.17Å; P257-Y259 VanDerWaalsContact C-N 3.26Å
258R97.4Very high98.1Very high194 Ų19431.9 Ų31.973%0.73218%0.182SC*.G310 helixtrans-80.3-4.6174.8-60.9-169-58.7122.41.7113.9G256G256-R258 PolarHBondContact O-N 3.12Å
259Y96.8Very high98.1Very high55 Ų5531.7 Ų31.722%0.21618%0.18CC..G310 helixtrans-109.715.2-177.5-51.6-54.4000112.5N4 R213 G256 P257 D261N4-Y259 WeakPolarHBondContact CB-O 3.47Å; N4-Y259 PolarHBondContact ND2-O 3.15Å; R213-Y259 VanDerWaalsContact CD-CD1 3.47Å; R213-Y259 VanDerWaalsContact CD-CG 3.48Å; G256-Y259 PolarHBondContact O-N 3.04Å; P257-Y259 VanDerWaalsContact C-N 3.26Å; Y259-D261 PolarHBondContact O-N 3.31Å
260V97.5Very high98.1Very high38 Ų3831.7 Ų31.723%0.2318%0.18CC..  trans-84.888.6165177.10000106.5V6 V249 L255 V263V6-V260 HydrophobicContact CG2-CG1 3.71Å; V249-V260 HydrophobicContact CB-CG2 4.46Å; V249-V260 HydrophobicContact CG1-CG2 4.23Å; L255-V260 HydrophobicContact CD2-CG2 4.13Å; V260-V263 HydrophobicContact CG1-CG2 3.63Å
261D97.5Very high98Very high67 Ų6730.7 Ų30.736%0.35817%0.172SC..  trans-85.3-46.4-165.1-53.3-45.2000112.2N3 N4 Y259N3-D261 HydrophobicContact CB-CB 3.64Å; N4-D261 WeakPolarHBondContact CB-OD2 3.38Å; N4-D261 PolarHBondContact N-OD2 3.45Å; N4-D261 PolarHBondContact ND2-OD2 3.1Å; Y259-D261 PolarHBondContact O-N 3.31Å
262Y98.3Very high98Very high6 Ų625.9 Ų25.92%0.02414%0.142CC..EExtended strand (participates in β ladder)trans-129.2128.8176.9-169.6-76000111.3N4 V5 V6 L264 S326 G327 D412 P429 A432N4-Y262 PolarHBondContact O-N 3.37Å; V5-Y262 WeakPolarHBondContact CA-O 3.48Å; V5-Y262 HydrophobicContact CG1-CD1 4.4Å; V6-Y262 PolarHBondContact N-O 3.38Å; Y262-L264 HydrophobicContact CD1-CB 4.16Å; Y262-L264 HydrophobicContact CE1-CB 3.81Å; Y262-L264 HydrophobicContact CE1-CD1 3.94Å; Y262-L264 HydrophobicContact CE1-CG 4.48Å; Y262-S326 VanDerWaalsContact CD2-CB 3.47Å; Y262-S326 VanDerWaalsContact CE2-CB 3.42Å; Y262-G327 VanDerWaalsContact OH-CA 3.24Å; Y262-G327 WeakPolarHBondContact OH-CA 3.44Å; Y262-G327 PolarHBondContact OH-N 2.84Å; Y262-D412 PolarHBondContact OH-OD2 2.71Å; Y262-P429 HydrophobicContact CD1-CB 3.74Å; Y262-P429 HydrophobicContact CE1-CB 3.8Å; Y262-P429 HydrophobicContact CE1-CG 4.2Å; Y262-P429 HydrophobicContact CG-CB 4.17Å; Y262-A432 HydrophobicContact CD2-CB 3.37Å; Y262-A432 HydrophobicContact CE2-CB 3.44Å; Y262-A432 VanDerWaalsContact CE2-CB 3.44Å; Y262-A432 HydrophobicContact CG-CB 4.44Å
263V98.6Very high97.7Very high3 Ų325.9 Ų25.92%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-111.6105.7176.5-170.10000110.1V6 L8 A246 V260 N323 L325 S326V6-V263 HydrophobicContact CB-CG1 4.29Å; V6-V263 HydrophobicContact CB-CG2 4.44Å; V6-V263 HydrophobicContact CG1-CG1 4.49Å; L8-V263 HydrophobicContact CD2-CG1 3.73Å; L8-V263 HydrophobicContact CG-CG1 4.34Å; A246-V263 HydrophobicContact CB-CG1 3.8Å; A246-V263 HydrophobicContact CB-CG2 4.08Å; V260-V263 HydrophobicContact CG1-CG2 3.63Å; V263-N323 HydrophobicContact CG1-CB 4.28Å; V263-L325 HydrophobicContact CB-CD2 4.32Å; V263-L325 HydrophobicContact CG1-CD2 3.59Å; V263-S326 PolarHBondContact N-OG 3.37Å; V263-S326 PolarHBondContact O-N 3.12Å
264L98.6Very high97.2Very high0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-88.1111.2177.3-173.469.2000110.6V5 V6 V7 L8 I20 L24 Y262 I266 C329 I413 P429V5-L264 HydrophobicContact CG1-CB 4.35Å; V6-L264 PolarHBondContact O-N 2.87Å; V7-L264 HydrophobicContact CG2-CD2 4.32Å; L8-L264 PolarHBondContact N-O 3.36Å; I20-L264 HydrophobicContact CG2-CD2 3.97Å; L24-L264 HydrophobicContact CD1-CD2 3.77Å; Y262-L264 HydrophobicContact CD1-CB 4.16Å; Y262-L264 HydrophobicContact CE1-CB 3.81Å; Y262-L264 HydrophobicContact CE1-CD1 3.94Å; Y262-L264 HydrophobicContact CE1-CG 4.48Å; L264-I266 HydrophobicContact CD2-CD1 3.89Å; L264-I266 HydrophobicContact CG-CD1 4.06Å; L264-C329 HydrophobicContact CD1-CB 4.36Å; L264-C329 HydrophobicContact CD2-CB 4.32Å; L264-C329 HydrophobicContact CG-CB 4.43Å; L264-I413 HydrophobicContact CD2-CD1 4.02Å; L264-P429 HydrophobicContact CD1-CG 4.35Å; L264-P429 HydrophobicContact CD2-CG 4.24Å
265G98.5Very high96.5Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-80.6117.2172.700000111.3T10 L267 G327 F328 C329T10-G265 VanDerWaalsContact CG2-CA 3.41Å; G265-L267 PolarHBondContact O-N 2.77Å; G265-G327 PolarHBondContact N-O 2.91Å; G265-F328 CarbonylContact O-C 3.51Å; G265-F328 VanDerWaalsContact O-CA 3.23Å; G265-F328 WeakPolarHBondContact O-CA 3.37Å; G265-F328 WeakPolarHBondContact O-CD1 2.97Å; G265-C329 PolarHBondContact O-N 2.92Å
266I98.1Very high95.9Very high0 Ų029.9 Ų29.90%017%0.17CC..EExtended strand (participates in β ladder)trans-82.2118.9169.7-49.7-53.1000108.2V7 L8 T10 E15 K17 I20 L264 C329 T331V7-I266 HydrophobicContact CG1-CD1 3.69Å; V7-I266 HydrophobicContact CG1-CG1 3.51Å; L8-I266 WeakPolarHBondContact O-CB 3.3Å; L8-I266 PolarHBondContact O-N 3.45Å; T10-I266 WeakPolarHBondContact CG2-O 3.46Å; T10-I266 PolarHBondContact N-O 3.38Å; T10-I266 PolarHBondContact OG1-O 3.2Å; E15-I266 HydrophobicContact CB-CB 4.26Å; E15-I266 HydrophobicContact CB-CG2 3.75Å; E15-I266 WeakPolarHBondContact O-CG2 3.15Å; K17-I266 HydrophobicContact CG-CB 3.98Å; K17-I266 HydrophobicContact CG-CG1 3.84Å; K17-I266 HydrophobicContact CG-CG2 4.24Å; I20-I266 HydrophobicContact CB-CD1 4.05Å; I20-I266 HydrophobicContact CG1-CD1 4.15Å; I20-I266 HydrophobicContact CG2-CD1 3.82Å; L264-I266 HydrophobicContact CD2-CD1 3.89Å; L264-I266 HydrophobicContact CG-CD1 4.06Å; I266-C329 HydrophobicContact CD1-CB 3.5Å; I266-T331 HydrophobicContact CG2-CG2 3.82Å
267L97.9Very high95.5Very high0 Ų029.2 Ų29.20%016%0.163CC..EExtended strand (participates in β ladder)trans-123.9121.3-174.1176.963.9000108.7T10 Q11 G265 L311 V316 F328 C329 L330 T331 I403T10-L267 WeakPolarHBondContact OG1-CA 3.41Å; T10-L267 WeakPolarHBondContact OG1-CD1 3.49Å; Q11-L267 HydrophobicContact CG-CD1 4.17Å; G265-L267 PolarHBondContact O-N 2.77Å; L267-L311 HydrophobicContact CD1-CD1 3.73Å; L267-L311 HydrophobicContact CD2-CD2 4.47Å; L267-L311 HydrophobicContact CG-CD1 4.49Å; L267-V316 HydrophobicContact CD1-CG1 4.22Å; L267-V316 HydrophobicContact CD1-CG2 3.47Å; L267-V316 VanDerWaalsContact CD1-CG2 3.47Å; L267-V316 HydrophobicContact CD2-CG1 4.46Å; L267-F328 HydrophobicContact CB-CD1 4.01Å; L267-F328 HydrophobicContact CD2-CD1 4.3Å; L267-F328 HydrophobicContact CD2-CE1 4.43Å; L267-F328 HydrophobicContact CD2-CG 4.41Å; L267-C329 PolarHBondContact N-O 3.01Å; L267-L330 HydrophobicContact CD2-CD1 4.08Å; L267-L330 HydrophobicContact CG-CD1 4.07Å; L267-L330 CarbonylContact O-C 3.56Å; L267-L330 VanDerWaalsContact O-CA 3.28Å; L267-L330 WeakPolarHBondContact O-CA 3.45Å; L267-T331 PolarHBondContact O-N 3.01Å; L267-T331 PolarHBondContact O-OG1 2.72Å; L267-I403 HydrophobicContact CD2-CG2 3.75Å
268K97.7Very high95.3Very high0 Ų025.4 Ų25.40%014%0.138CC..EExtended strand (participates in β ladder)trans-81.7144.6171.3-173.316259.2-170.20110D14 E15 Y270 T272 E297 T331 K332D14-K268 PolarHBondContact O-NZ 3.08Å; D14-K268 VanDerWaalsContact O-NZ 3.15Å; E15-K268 HydrophobicContact CB-CB 4.48Å; K268-Y270 CarbonylContact C-O 3.53Å; K268-Y270 WeakPolarHBondContact CB-O 3.18Å; K268-Y270 HydrophobicContact CD-CD1 4.32Å; K268-Y270 HydrophobicContact CD-CD2 4.5Å; K268-Y270 HydrophobicContact CD-CE1 3.8Å; K268-Y270 HydrophobicContact CD-CE2 4.02Å; K268-Y270 HydrophobicContact CG-CD1 3.93Å; K268-Y270 HydrophobicContact CG-CE1 3.79Å; K268-Y270 HydrophobicContact CG-CG 4.38Å; K268-Y270 WeakPolarHBondContact CG-O 3.35Å; K268-Y270 PolarHBondContact O-N 3.3Å; K268-T272 WeakPolarHBondContact CE-OG1 3.27Å; K268-T272 PolarHBondContact NZ-OG1 2.69Å; K268-E297 IonicContact NZ-OE1 3.68Å; K268-E297 PolarHBondContact NZ-OE1 3.37Å; K268-E297 IonicContact NZ-OE2 3.4Å; K268-E297 PolarHBondContact NZ-OE2 2.8Å; K268-T331 WeakPolarHBondContact CA-OG1 3.44Å; K268-K332 HydrophobicContact CD-CB 4.35Å; K268-K332 HydrophobicContact CD-CD 3.86Å; K268-K332 HydrophobicContact CD-CG 4.23Å; K268-K332 HydrophobicContact CG-CB 4.12Å; K268-K332 HydrophobicContact CG-CG 4.41Å
269A98.2Very high95.3Very high0 Ų016.8 Ų16.80%011%0.106CC..SBendtrans-61.5-10.2-179.500000114.4L330 T331 L333 L336 Y399A269-L330 HydrophobicContact CB-CD1 4.23Å; A269-T331 PolarHBondContact N-O 3.12Å; A269-L333 HydrophobicContact CB-CD1 4.35Å; A269-L336 HydrophobicContact CB-CD1 3.88Å; A269-L336 HydrophobicContact CB-CG 4.25Å; A269-Y399 HydrophobicContact CB-CE1 4.35Å; A269-Y399 PolarHBondContact O-OH 3.4Å
270Y98.5Very high95.2Very high0 Ų015.1 Ų15.10%010%0.102CC..SBendtrans-144.7173.9172.861.1-81.6000108.5Q11 K268 T272 L291 G295 E297 T308 G309 K332 V335 L336Q11-Y270 PolarHBondContact NE2-O 3.3Å; K268-Y270 CarbonylContact C-O 3.53Å; K268-Y270 WeakPolarHBondContact CB-O 3.18Å; K268-Y270 HydrophobicContact CD-CD1 4.32Å; K268-Y270 HydrophobicContact CD-CD2 4.5Å; K268-Y270 HydrophobicContact CD-CE1 3.8Å; K268-Y270 HydrophobicContact CD-CE2 4.02Å; K268-Y270 HydrophobicContact CG-CD1 3.93Å; K268-Y270 HydrophobicContact CG-CE1 3.79Å; K268-Y270 HydrophobicContact CG-CG 4.38Å; K268-Y270 WeakPolarHBondContact CG-O 3.35Å; K268-Y270 PolarHBondContact O-N 3.3Å; Y270-T272 HydrophobicContact CD2-CG2 4.11Å; Y270-T272 HydrophobicContact CE2-CG2 3.68Å; Y270-L291 HydrophobicContact CD1-CD2 4.5Å; Y270-L291 HydrophobicContact CD2-CB 4.45Å; Y270-L291 HydrophobicContact CD2-CD1 4.37Å; Y270-L291 HydrophobicContact CE2-CB 4.47Å; Y270-L291 HydrophobicContact CG-CD1 4.45Å; Y270-L291 HydrophobicContact CG-CD2 4.36Å; Y270-G295 VanDerWaalsContact OH-CA 3.3Å; Y270-G295 WeakPolarHBondContact OH-CA 3.15Å; Y270-E297 HydrophobicContact CE2-CG 4.02Å; Y270-E297 WeakPolarHBondContact OH-CG 3.47Å; Y270-E297 PolarHBondContact OH-OE1 2.9Å; Y270-T308 HydrophobicContact CE2-CG2 4.47Å; Y270-G309 WeakPolarHBondContact CB-O 3.44Å; Y270-K332 HydrophobicContact CE1-CB 4.03Å; Y270-K332 HydrophobicContact CE1-CD 4.39Å; Y270-V335 HydrophobicContact CD1-CB 4.36Å; Y270-V335 HydrophobicContact CD1-CG1 4.16Å; Y270-V335 HydrophobicContact CE1-CB 3.62Å; Y270-V335 HydrophobicContact CE1-CG1 3.45Å; Y270-V335 VanDerWaalsContact CE1-CG1 3.45Å; Y270-V335 HydrophobicContact CE1-CG2 4.02Å; Y270-L336 HydrophobicContact CD1-CD2 4.24Å
271S98.1Very high95.3Very high1 Ų113.3 Ų13.31%0.0079%0.091CC..EExtended strand (participates in β ladder)trans-101.7147-176.3-58.80000112Q11 F279 G309 W310 D312Q11-S271 PolarHBondContact NE2-OG 3.13Å; S271-F279 VanDerWaalsContact CB-CZ 3.45Å; S271-F279 WeakPolarHBondContact O-CZ 3.29Å; S271-G309 PolarHBondContact N-O 2.99Å; S271-G309 PolarHBondContact O-N 3.29Å; S271-W310 VanDerWaalsContact CB-O 3.27Å; S271-W310 WeakPolarHBondContact CB-O 3.24Å; S271-W310 PolarHBondContact OG-O 2.6Å; S271-D312 PolarHBondContact OG-N 2.91Å
272T96.7Very high95.3Very high1 Ų111.9 Ų11.91%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-138154.6167.5560000112K268 Y270 E297 R307 T308K268-T272 WeakPolarHBondContact CE-OG1 3.27Å; K268-T272 PolarHBondContact NZ-OG1 2.69Å; Y270-T272 HydrophobicContact CD2-CG2 4.11Å; Y270-T272 HydrophobicContact CE2-CG2 3.68Å; T272-E297 HydrophobicContact CG2-CG 3.99Å; T272-R307 CarbonylContact C-O 3.56Å; T272-R307 WeakPolarHBondContact CA-O 3.37Å; T272-R307 WeakPolarHBondContact CB-O 3.45Å; T272-T308 HydrophobicContact CG2-CG2 4Å
273R93.3Very high95.3Very high3 Ų312.6 Ų12.61%0.0119%0.086CC..EExtended strand (participates in β ladder)trans-138.2135172.2-169.8173.6175114.822.7110.9W12 T235 Y238 A276 P278 F279 R307W12-R273 HydrophobicContact CB-CB 4.4Å; W12-R273 HydrophobicContact CB-CG 4.18Å; W12-R273 VanDerWaalsContact CD1-NH1 3.29Å; W12-R273 HydrophobicContact CG-CG 4.25Å; T235-R273 PolarHBondContact OG1-NH1 3.4Å; T235-R273 PolarHBondContact OG1-NH2 2.97Å; T235-R273 VanDerWaalsContact OG1-NH2 3.09Å; Y238-R273 PolarHBondContact O-NH2 3.1Å; R273-A276 VanDerWaalsContact CZ-O 3.27Å; R273-A276 PolarHBondContact NE-O 3.16Å; R273-A276 PolarHBondContact NH2-O 2.64Å; R273-P278 PolarHBondContact NH1-O 2.72Å; R273-F279 HydrophobicContact CB-CD1 3.79Å; R273-F279 HydrophobicContact CB-CE1 4.07Å; R273-F279 HydrophobicContact CB-CG 4.29Å; R273-R307 HydrophobicContact CB-CB 4.49Å; R273-R307 PolarHBondContact N-O 2.93Å; R273-R307 PolarHBondContact O-N 2.68Å
274V87.1Confident95.2Very high55 Ų5520.8 Ų20.833%0.33312%0.122SC..  trans-94.3133.7167.3-1770000108.3D14 R306D14-V274 VanDerWaalsContact OD2-CG2 3.26Å; D14-V274 WeakPolarHBondContact OD2-CG2 3.42Å; V274-R306 HydrophobicContact CG2-CG 3.89Å
275G83.6Confident95.2Very high32 Ų3223.9 Ų23.933%0.3314%0.138SC..SBendtrans79.6-164.2175.900000114.3R307G275-R307 WeakPolarHBondContact O-CD 3.13Å; G275-R307 PolarHBondContact O-NH1 2.89Å; G275-R307 VanDerWaalsContact O-NH1 3.11Å
276A86.2Confident95.1Very high42 Ų4231.5 Ų31.535%0.34717%0.174SC..SBendtrans-78.5175.3-175.500000112.2Y238 R273Y238-A276 HydrophobicContact CD1-CB 3.9Å; Y238-A276 HydrophobicContact CE1-CB 3.92Å; R273-A276 VanDerWaalsContact CZ-O 3.27Å; R273-A276 PolarHBondContact NE-O 3.16Å; R273-A276 PolarHBondContact NH2-O 2.64Å
277G90.1Very high95.1Very high13 Ų1333.1 Ų33.113%0.13418%0.184CC..SBendtrans109.4170.3174.800000114Y238 R307Y238-G277 VanDerWaalsContact CD2-CA 3.45Å; G277-R307 PolarHBondContact O-NH1 2.87Å; G277-R307 PolarHBondContact O-NH2 3.1Å
278P93.3Very high95.1Very high24 Ų2433.1 Ų33.116%0.15618%0.184CC..  trans-66.8141.1-17327.1-33.7000111.5T235 R273 W366T235-P278 HydrophobicContact CG2-CG 3.81Å; R273-P278 PolarHBondContact NH1-O 2.72Å; P278-W366 HydrophobicContact CB-CB 3.4Å; P278-W366 VanDerWaalsContact CB-CB 3.4Å; P278-W366 HydrophobicContact CB-CD2 3.88Å; P278-W366 HydrophobicContact CB-CE3 3.91Å; P278-W366 HydrophobicContact CB-CG 3.69Å; P278-W366 HydrophobicContact CG-CB 3.8Å; P278-W366 HydrophobicContact CG-CD2 3.82Å; P278-W366 HydrophobicContact CG-CE3 4.21Å; P278-W366 HydrophobicContact CG-CG 3.63Å
279F95.9Very high95.1Very high13 Ų1337.7 Ų37.76%0.05721%0.205CC..  trans-150.782.7177.2-168.8-170.5000109.3W12 S271 R273 T281 E282 R307W12-F279 HydrophobicContact CE3-CD2 4.45Å; W12-F279 HydrophobicContact CE3-CE2 4.26Å; W12-F279 AromaticContact CH2-CD2 3.9Å; W12-F279 HydrophobicContact CH2-CD2 3.9Å; W12-F279 HydrophobicContact CH2-CE2 4.09Å; W12-F279 HydrophobicContact CZ2-CD2 4.49Å; W12-F279 AromaticContact CZ3-CD2 3.89Å; W12-F279 HydrophobicContact CZ3-CD2 3.89Å; W12-F279 AromaticContact CZ3-CE2 3.67Å; W12-F279 HydrophobicContact CZ3-CE2 3.67Å; S271-F279 VanDerWaalsContact CB-CZ 3.45Å; S271-F279 WeakPolarHBondContact O-CZ 3.29Å; R273-F279 HydrophobicContact CB-CD1 3.79Å; R273-F279 HydrophobicContact CB-CE1 4.07Å; R273-F279 HydrophobicContact CB-CG 4.29Å; F279-T281 WeakPolarHBondContact CE2-OG1 3.36Å; F279-T281 PolarHBondContact O-N 2.95Å; F279-T281 VanDerWaalsContact O-N 3.16Å; F279-E282 HydrophobicContact CB-CB 4.16Å; F279-E282 HydrophobicContact CD1-CB 3.76Å; F279-E282 HydrophobicContact CD1-CG 4.04Å; F279-E282 HydrophobicContact CE1-CB 4.27Å; F279-E282 HydrophobicContact CE1-CG 4.45Å; F279-E282 HydrophobicContact CG-CB 3.96Å; F279-E282 VanDerWaalsContact O-CB 3.27Å; F279-E282 WeakPolarHBondContact O-CB 3.2Å; F279-E282 PolarHBondContact O-N 3.44Å; F279-E282 VanDerWaalsContact O-N 3.1Å; F279-R307 HydrophobicContact CD1-CB 3.84Å; F279-R307 HydrophobicContact CE1-CB 3.92Å
280P96.4Very high95.1Very high19 Ų1940.7 Ų40.712%0.12322%0.218CC..THydrogen-bonded Turntrans-57.5-34.5-169-29.637.7000114.4E282 Y348 W366 V369 P371P280-E282 VanDerWaalsContact C-N 3.33Å; P280-Y348 HydrophobicContact CB-CD1 4.41Å; P280-Y348 HydrophobicContact CB-CE1 3.83Å; P280-Y348 HydrophobicContact CG-CE1 4Å; P280-W366 HydrophobicContact CG-CE3 3.62Å; P280-W366 HydrophobicContact CG-CZ3 3.59Å; P280-V369 HydrophobicContact CB-CG1 4.29Å; P280-V369 HydrophobicContact CG-CG1 4.25Å; P280-P371 WeakPolarHBondContact O-CD 3.3Å; P280-P371 VanDerWaalsContact O-CG 3.29Å; P280-P371 WeakPolarHBondContact O-CG 3.47Å
281T98.2Very high95.1Very high0 Ų040.7 Ų40.70%022%0.218CC..THydrogen-bonded Turntrans-91.411.1-177620000114.4F279 G309 W310 D312 C345 P371 Y373F279-T281 WeakPolarHBondContact CE2-OG1 3.36Å; F279-T281 PolarHBondContact O-N 2.95Å; F279-T281 VanDerWaalsContact O-N 3.16Å; T281-G309 CarbonylContact O-C 3.56Å; T281-G309 WeakPolarHBondContact O-CA 3.46Å; T281-W310 WeakPolarHBondContact CB-O 3.25Å; T281-W310 PolarHBondContact O-N 3.28Å; T281-W310 VanDerWaalsContact O-N 3.12Å; T281-W310 PolarHBondContact OG1-O 2.87Å; T281-D312 HydrophobicContact CG2-CB 3.87Å; T281-C345 HydrophobicContact CG2-CB 3.39Å; T281-P371 HydrophobicContact CG2-CB 4.09Å; T281-Y373 WeakPolarHBondContact CA-OH 3.49Å; T281-Y373 HydrophobicContact CG2-CE1 4.06Å
282E98.3Very high95Very high38 Ų3840.7 Ų40.718%0.17822%0.219CC..BIsolated β-bridgetrans-58.9137.3-179.7-173.2171.3-157.600112.1F279 P280 F284 R307F279-E282 HydrophobicContact CB-CB 4.16Å; F279-E282 HydrophobicContact CD1-CB 3.76Å; F279-E282 HydrophobicContact CD1-CG 4.04Å; F279-E282 HydrophobicContact CE1-CB 4.27Å; F279-E282 HydrophobicContact CE1-CG 4.45Å; F279-E282 HydrophobicContact CG-CB 3.96Å; F279-E282 VanDerWaalsContact O-CB 3.27Å; F279-E282 WeakPolarHBondContact O-CB 3.2Å; F279-E282 PolarHBondContact O-N 3.44Å; F279-E282 VanDerWaalsContact O-N 3.1Å; P280-E282 VanDerWaalsContact C-N 3.33Å; E282-F284 HydrophobicContact CB-CE2 4.12Å; E282-F284 HydrophobicContact CB-CZ 4.17Å; E282-F284 HydrophobicContact CG-CE1 3.97Å; E282-F284 HydrophobicContact CG-CE2 3.89Å; E282-F284 HydrophobicContact CG-CZ 3.6Å; E282-F284 VanDerWaalsContact OE2-CZ 3.24Å; E282-F284 WeakPolarHBondContact OE2-CZ 3.4Å; E282-R307 HydrophobicContact CG-CB 4.5Å; E282-R307 VanDerWaalsContact OE1-CB 3.29Å; E282-R307 WeakPolarHBondContact OE1-CB 3.29Å; E282-R307 WeakPolarHBondContact OE1-CD 3.35Å; E282-R307 WeakPolarHBondContact OE1-CG 3.33Å; E282-R307 IonicContact OE1-CZ 2.85Å; E282-R307 IonicContact OE1-NE 2.66Å; E282-R307 PolarHBondContact OE1-NE 3.43Å; E282-R307 IonicContact OE1-NH2 2.83Å; E282-R307 IonicContact OE2-CZ 3.79Å; E282-R307 VanDerWaalsContact OE2-CZ 3.25Å; E282-R307 IonicContact OE2-NE 3.37Å; E282-R307 PolarHBondContact OE2-NE 3.47Å; E282-R307 VanDerWaalsContact OE2-NE 3.1Å; E282-R307 IonicContact OE2-NH2 2.75Å; E282-R307 PolarHBondContact OE2-NH2 3.23Å
283L98.2Very high94.9Very high21 Ų2148 Ų4811%0.1125%0.25CS..  trans-110.4123-178.5-67.2170.4000110.3T287 L291 T308 W310L283-T287 HydrophobicContact CD1-CG2 4.06Å; L283-L291 HydrophobicContact CD1-CD1 3.97Å; L283-T308 PolarHBondContact N-O 3.34Å; L283-W310 HydrophobicContact CD1-CD2 4.1Å; L283-W310 HydrophobicContact CD1-CG 4.17Å; L283-W310 HydrophobicContact CD1-CZ2 4.37Å
284F96.8Very high95.1Very high175 Ų17552.4 Ų52.477%0.76827%0.271SS*.  trans-106.221.2177.7-56.4-81.7000112.1E282E282-F284 HydrophobicContact CB-CE2 4.12Å; E282-F284 HydrophobicContact CB-CZ 4.17Å; E282-F284 HydrophobicContact CG-CE1 3.97Å; E282-F284 HydrophobicContact CG-CE2 3.89Å; E282-F284 HydrophobicContact CG-CZ 3.6Å; E282-F284 VanDerWaalsContact OE2-CZ 3.24Å; E282-F284 WeakPolarHBondContact OE2-CZ 3.4Å
285D97.6Very high95.4Very high65 Ų6550 Ų5035%0.34826%0.258SS..SBendtrans-119.3-175-175.165.614.3000111.8T287 G288 E289D285-T287 PolarHBondContact O-N 3.05Å; D285-T287 WeakPolarHBondContact OD1-CA 3.5Å; D285-T287 VanDerWaalsContact OD1-CB 3.23Å; D285-T287 WeakPolarHBondContact OD1-CB 3.44Å; D285-T287 PolarHBondContact OD1-N 2.86Å; D285-G288 PolarHBondContact O-N 2.76Å; D285-G288 VanDerWaalsContact O-N 3.12Å; D285-G288 PolarHBondContact OD1-N 3.18Å; D285-E289 PolarHBondContact O-N 3.04Å
286E97.5Very high95.9Very high159 Ų15954.3 Ų54.374%0.74327%0.273SS*.Hα-helixtrans-62.1-25.2179.8-59.680.5-175.900112.6E289 F290E286-E289 PolarHBondContact O-N 2.9Å; E286-F290 VanDerWaalsContact O-CB 3.32Å; E286-F290 WeakPolarHBondContact O-CB 3.13Å; E286-F290 PolarHBondContact O-N 2.91Å
287T98.2Very high96.3Very high35 Ų3552.3 Ų52.322%0.21526%0.257CS..Hα-helixtrans-71-42.3176-48.30000110.3L283 D285 E289 F290 L291 W310 L339L283-T287 HydrophobicContact CD1-CG2 4.06Å; D285-T287 PolarHBondContact O-N 3.05Å; D285-T287 WeakPolarHBondContact OD1-CA 3.5Å; D285-T287 VanDerWaalsContact OD1-CB 3.23Å; D285-T287 WeakPolarHBondContact OD1-CB 3.44Å; D285-T287 PolarHBondContact OD1-N 2.86Å; T287-E289 VanDerWaalsContact C-N 3.32Å; T287-E289 PolarHBondContact O-N 2.73Å; T287-F290 WeakPolarHBondContact O-CB 3.02Å; T287-F290 PolarHBondContact O-N 2.99Å; T287-L291 WeakPolarHBondContact O-CG 3.27Å; T287-L291 PolarHBondContact O-N 2.79Å; T287-W310 HydrophobicContact CG2-CH2 3.62Å; T287-W310 HydrophobicContact CG2-CZ2 3.54Å; T287-L339 HydrophobicContact CG2-CD2 4.1Å
288G97.7Very high96.2Very high0 Ų056.7 Ų56.70%027%0.272CS..Hα-helixtrans-57.4-44.5172.500000112.4D285 C292 T308D285-G288 PolarHBondContact O-N 2.76Å; D285-G288 VanDerWaalsContact O-N 3.12Å; D285-G288 PolarHBondContact OD1-N 3.18Å; G288-C292 WeakPolarHBondContact O-CB 3.48Å; G288-C292 PolarHBondContact O-N 3.01Å; G288-T308 PolarHBondContact O-OG1 2.91Å
289E97.1Very high95.5Very high96 Ų9656 Ų5645%0.44927%0.269SS..Hα-helixtrans-64.6-42.2175-66.8-61.4159.700112.5D285 E286 T287 C292 K293 R305D285-E289 PolarHBondContact O-N 3.04Å; E286-E289 PolarHBondContact O-N 2.9Å; T287-E289 VanDerWaalsContact C-N 3.32Å; T287-E289 PolarHBondContact O-N 2.73Å; E289-C292 PolarHBondContact O-N 3.34Å; E289-K293 WeakPolarHBondContact O-CB 3.26Å; E289-K293 PolarHBondContact O-N 2.84Å; E289-R305 IonicContact OE1-CZ 3.6Å; E289-R305 IonicContact OE1-NH1 3.1Å; E289-R305 PolarHBondContact OE1-NH1 2.91Å; E289-R305 IonicContact OE1-NH2 2.98Å; E289-R305 PolarHBondContact OE1-NH2 3.29Å; E289-R305 IonicContact OE2-CZ 3.16Å; E289-R305 VanDerWaalsContact OE2-CZ 3.28Å; E289-R305 IonicContact OE2-NH1 3.28Å; E289-R305 PolarHBondContact OE2-NH1 3.35Å; E289-R305 IonicContact OE2-NH2 2.72Å; E289-R305 PolarHBondContact OE2-NH2 3.16Å
290F98Very high94.4Very high62 Ų6257.9 Ų57.927%0.27229%0.287SS..Hα-helixtrans-57.7-52.1175.8175.3-92.5000111.3E286 T287 C292 K293 Q294 V335 D337 L339E286-F290 VanDerWaalsContact O-CB 3.32Å; E286-F290 WeakPolarHBondContact O-CB 3.13Å; E286-F290 PolarHBondContact O-N 2.91Å; T287-F290 WeakPolarHBondContact O-CB 3.02Å; T287-F290 PolarHBondContact O-N 2.99Å; F290-C292 VanDerWaalsContact C-N 3.28Å; F290-C292 PolarHBondContact O-N 3.38Å; F290-K293 PolarHBondContact O-N 3.39Å; F290-Q294 HydrophobicContact CD1-CG 4.24Å; F290-Q294 HydrophobicContact CD2-CG 3.99Å; F290-Q294 HydrophobicContact CE1-CG 3.92Å; F290-Q294 HydrophobicContact CE2-CG 3.65Å; F290-Q294 HydrophobicContact CG-CG 4.28Å; F290-Q294 HydrophobicContact CZ-CG 3.62Å; F290-Q294 WeakPolarHBondContact O-CB 3.43Å; F290-Q294 WeakPolarHBondContact O-CG 3.44Å; F290-Q294 PolarHBondContact O-N 3.11Å; F290-V335 WeakPolarHBondContact CE1-O 3.43Å; F290-D337 WeakPolarHBondContact CZ-O 3.43Å; F290-L339 HydrophobicContact CD1-CD1 4.41Å; F290-L339 HydrophobicContact CD1-CD2 3.86Å; F290-L339 HydrophobicContact CD1-CG 4.19Å; F290-L339 HydrophobicContact CE1-CD1 4.19Å; F290-L339 HydrophobicContact CE1-CD2 3.92Å; F290-L339 HydrophobicContact CE1-CG 3.8Å
291L98Very high93.1Very high0 Ų060.4 Ų60.40%030%0.302CS..Hα-helixtrans-59.8-41177.7-66.4176.6000111.5Y270 L283 T287 G295 T308 V335 L336 L339Y270-L291 HydrophobicContact CD1-CD2 4.5Å; Y270-L291 HydrophobicContact CD2-CB 4.45Å; Y270-L291 HydrophobicContact CD2-CD1 4.37Å; Y270-L291 HydrophobicContact CE2-CB 4.47Å; Y270-L291 HydrophobicContact CG-CD1 4.45Å; Y270-L291 HydrophobicContact CG-CD2 4.36Å; L283-L291 HydrophobicContact CD1-CD1 3.97Å; T287-L291 WeakPolarHBondContact O-CG 3.27Å; T287-L291 PolarHBondContact O-N 2.79Å; L291-G295 WeakPolarHBondContact O-CA 3.34Å; L291-G295 PolarHBondContact O-N 3.33Å; L291-T308 HydrophobicContact CB-CG2 4.27Å; L291-V335 HydrophobicContact CD2-CG1 3.99Å; L291-L336 HydrophobicContact CD2-CD2 3.59Å; L291-L339 HydrophobicContact CD2-CD1 4.31Å
292C96.4Very high91.8Very high2 Ų264.1 Ų64.11%0.01433%0.325CS..Hα-helixtrans-63.7-43.7179.9-172.90000111.8G288 E289 F290 N296 E297 T308G288-C292 WeakPolarHBondContact O-CB 3.48Å; G288-C292 PolarHBondContact O-N 3.01Å; E289-C292 PolarHBondContact O-N 3.34Å; F290-C292 VanDerWaalsContact C-N 3.28Å; F290-C292 PolarHBondContact O-N 3.38Å; C292-N296 PolarHBondContact O-N 3.03Å; C292-E297 PolarHBondContact O-N 3.15Å; C292-T308 HydrophobicContact CB-CG2 3.88Å
293K95.8Very high91Very high154 Ų15464.7 Ų64.767%0.6734%0.342SS*.Hα-helixtrans-70-54.2179.5-177.8-178.3175.2-174.20111.5E289 F290 G295 N296E289-K293 WeakPolarHBondContact O-CB 3.26Å; E289-K293 PolarHBondContact O-N 2.84Å; F290-K293 PolarHBondContact O-N 3.39Å; K293-G295 VanDerWaalsContact C-N 3.3Å; K293-G295 PolarHBondContact O-N 2.82Å; K293-N296 PolarHBondContact O-N 2.76Å; K293-N296 PolarHBondContact O-OD1 3.34Å
294Q95.9Very high90.1Very high96 Ų9670.2 Ų70.245%0.44936%0.361SS..Hα-helixtrans-65-35.4-176.9-68.7-59.4101.300112.1F290 N296 V335F290-Q294 HydrophobicContact CD1-CG 4.24Å; F290-Q294 HydrophobicContact CD2-CG 3.99Å; F290-Q294 HydrophobicContact CE1-CG 3.92Å; F290-Q294 HydrophobicContact CE2-CG 3.65Å; F290-Q294 HydrophobicContact CG-CG 4.28Å; F290-Q294 HydrophobicContact CZ-CG 3.62Å; F290-Q294 WeakPolarHBondContact O-CB 3.43Å; F290-Q294 WeakPolarHBondContact O-CG 3.44Å; F290-Q294 PolarHBondContact O-N 3.11Å; Q294-N296 VanDerWaalsContact C-N 3.31Å; Q294-N296 PolarHBondContact O-N 3.28Å; Q294-V335 HydrophobicContact CB-CG1 3.92Å
295G95.2Very high89.8Confident5 Ų567.6 Ų67.65%0.05235%0.346CS..THydrogen-bonded Turntrans-81.1-3.3178.500000115.8Y270 L291 K293 E297 K332Y270-G295 VanDerWaalsContact OH-CA 3.3Å; Y270-G295 WeakPolarHBondContact OH-CA 3.15Å; L291-G295 WeakPolarHBondContact O-CA 3.34Å; L291-G295 PolarHBondContact O-N 3.33Å; K293-G295 VanDerWaalsContact C-N 3.3Å; K293-G295 PolarHBondContact O-N 2.82Å; G295-E297 VanDerWaalsContact C-N 3.27Å; G295-E297 PolarHBondContact O-N 3.38Å; G295-K332 PolarHBondContact O-NZ 2.91Å
296N93.5Very high89.6Confident122 Ų12265.7 Ų65.765%0.65233%0.334SS*.THydrogen-bonded Turntrans48.249.7-169.4-64.116.7000111.6C292 K293 Q294 F298C292-N296 PolarHBondContact O-N 3.03Å; K293-N296 PolarHBondContact O-N 2.76Å; K293-N296 PolarHBondContact O-OD1 3.34Å; Q294-N296 VanDerWaalsContact C-N 3.31Å; Q294-N296 PolarHBondContact O-N 3.28Å; N296-F298 PolarHBondContact O-N 3.1Å
297E93.9Very high89.5Confident0 Ų060.9 Ų60.90%031%0.309CS..  trans-82.760.9-169.6-66.1-64.2174.600113.1K268 Y270 T272 C292 G295 R306 T308 K332K268-E297 IonicContact NZ-OE1 3.68Å; K268-E297 PolarHBondContact NZ-OE1 3.37Å; K268-E297 IonicContact NZ-OE2 3.4Å; K268-E297 PolarHBondContact NZ-OE2 2.8Å; Y270-E297 HydrophobicContact CE2-CG 4.02Å; Y270-E297 WeakPolarHBondContact OH-CG 3.47Å; Y270-E297 PolarHBondContact OH-OE1 2.9Å; T272-E297 HydrophobicContact CG2-CG 3.99Å; C292-E297 PolarHBondContact O-N 3.15Å; G295-E297 VanDerWaalsContact C-N 3.27Å; G295-E297 PolarHBondContact O-N 3.38Å; E297-R306 HydrophobicContact CB-CB 4.12Å; E297-R306 HydrophobicContact CB-CG 4.47Å; E297-R306 WeakPolarHBondContact O-CB 3.24Å; E297-R306 WeakPolarHBondContact O-CG 3.4Å; E297-R306 PolarHBondContact O-N 3.06Å; E297-R306 WeakPolarHBondContact OE2-CD 3.26Å; E297-R306 IonicContact OE2-CZ 2.64Å; E297-R306 IonicContact OE2-NE 2.91Å; E297-R306 IonicContact OE2-NH1 3.56Å; E297-R306 PolarHBondContact OE2-NH1 3.07Å; E297-T308 HydrophobicContact CB-CG2 4.24Å; E297-T308 HydrophobicContact CG-CG2 4.24Å; E297-K332 IonicContact OE1-NZ 3.04Å; E297-K332 PolarHBondContact OE1-NZ 2.98Å; E297-K332 IonicContact OE2-NZ 2.85Å
298F88.7Confident89.5Confident104 Ų10459.3 Ų59.346%0.45630%0.299SS..BIsolated β-bridgetrans-121.9137.8174.8-59.1-90.1000109.4N296 A300 R304 R305N296-F298 PolarHBondContact O-N 3.1Å; F298-A300 PolarHBondContact O-N 2.97Å; F298-R304 WeakPolarHBondContact CA-O 3.21Å; F298-R305 HydrophobicContact CD1-CB 4.17Å; F298-R305 HydrophobicContact CE1-CB 4.04Å; F298-R305 HydrophobicContact CE1-CG 4.14Å
299G78.2Confident89.5Confident10 Ų1059.3 Ų59.310%0.10330%0.299CS..  trans-60.8128179.800000111.8T301 G303 R304G299-T301 PolarHBondContact O-N 2.64Å; G299-G303 VanDerWaalsContact O-CA 3.25Å; G299-G303 WeakPolarHBondContact O-CA 3.39Å; G299-G303 PolarHBondContact O-N 3.44Å; G299-R304 PolarHBondContact N-O 3.31Å
300A73.2Confident89.6Confident53 Ų5355.3 Ų55.344%0.43828%0.28SS..THydrogen-bonded Turntrans-62.2-27.2-176.600000113.8V52 F298V52-A300 HydrophobicContact CG1-CB 4.46Å; F298-A300 PolarHBondContact O-N 2.97Å
301T69.1Low89.6Confident71 Ų7152.4 Ų52.444%0.43627%0.267SS..THydrogen-bonded Turntrans-103.3-41.2-179.2-500000112.7H54 G299H54-T301 PolarHBondContact NE2-OG1 2.94Å; G299-T301 PolarHBondContact O-N 2.64Å
302T71.7Confident89.7Confident78 Ų7852.4 Ų52.448%0.47927%0.268SS..THydrogen-bonded Turntrans-95-15-17359.10000113.1R304T302-R304 PolarHBondContact O-N 2.79Å; T302-R304 PolarHBondContact OG1-N 3.48Å
303G79.5Confident89.8Confident51 Ų5152.4 Ų52.453%0.52627%0.267SS..  trans64.51.9-17000000114.1G299 R305G299-G303 VanDerWaalsContact O-CA 3.25Å; G299-G303 WeakPolarHBondContact O-CA 3.39Å; G299-G303 PolarHBondContact O-N 3.44Å; G303-R305 PolarHBondContact O-N 3.01Å
304R81Confident89.9Confident136 Ų13645.1 Ų45.151%0.51324%0.236SC..PPolyproline II helixtrans-64.6129.1-176.1-74.1-178.3-178171.82.2109.7F298 G299 T302 R306F298-R304 WeakPolarHBondContact CA-O 3.21Å; G299-R304 PolarHBondContact N-O 3.31Å; T302-R304 PolarHBondContact O-N 2.79Å; T302-R304 PolarHBondContact OG1-N 3.48Å; R304-R306 PolarHBondContact O-N 2.63Å
305R89.9Confident89.9Confident121 Ų12140.6 Ų40.646%0.45722%0.215SC..BIsolated β-bridgetrans-58.7131.4169.5-176.5177.6172-160.8-10.3109.4E289 F298 G303E289-R305 IonicContact OE1-CZ 3.6Å; E289-R305 IonicContact OE1-NH1 3.1Å; E289-R305 PolarHBondContact OE1-NH1 2.91Å; E289-R305 IonicContact OE1-NH2 2.98Å; E289-R305 PolarHBondContact OE1-NH2 3.29Å; E289-R305 IonicContact OE2-CZ 3.16Å; E289-R305 VanDerWaalsContact OE2-CZ 3.28Å; E289-R305 IonicContact OE2-NH1 3.28Å; E289-R305 PolarHBondContact OE2-NH1 3.35Å; E289-R305 IonicContact OE2-NH2 2.72Å; E289-R305 PolarHBondContact OE2-NH2 3.16Å; F298-R305 HydrophobicContact CD1-CB 4.17Å; F298-R305 HydrophobicContact CE1-CB 4.04Å; F298-R305 HydrophobicContact CE1-CG 4.14Å; G303-R305 PolarHBondContact O-N 3.01Å
306R93.3Very high90.1Very high24 Ų2440.4 Ų40.49%0.09121%0.213CC..PPolyproline II helixtrans-85.4147.3174.3-57.8174.1169.8136.84.6109.6D14 V274 E297 R304D14-R306 VanDerWaalsContact CG-NE 3.3Å; D14-R306 IonicContact OD1-CZ 3.83Å; D14-R306 IonicContact OD1-NH2 2.72Å; D14-R306 PolarHBondContact OD1-NH2 2.89Å; D14-R306 IonicContact OD2-CZ 3.68Å; D14-R306 IonicContact OD2-NE 3.71Å; D14-R306 PolarHBondContact OD2-NE 3.49Å; D14-R306 IonicContact OD2-NH2 3.1Å; D14-R306 PolarHBondContact OD2-NH2 2.69Å; V274-R306 HydrophobicContact CG2-CG 3.89Å; E297-R306 HydrophobicContact CB-CB 4.12Å; E297-R306 HydrophobicContact CB-CG 4.47Å; E297-R306 WeakPolarHBondContact O-CB 3.24Å; E297-R306 WeakPolarHBondContact O-CG 3.4Å; E297-R306 PolarHBondContact O-N 3.06Å; E297-R306 WeakPolarHBondContact OE2-CD 3.26Å; E297-R306 IonicContact OE2-CZ 2.64Å; E297-R306 IonicContact OE2-NE 2.91Å; E297-R306 IonicContact OE2-NH1 3.56Å; E297-R306 PolarHBondContact OE2-NH1 3.07Å; R304-R306 PolarHBondContact O-N 2.63Å
307R95.4Very high90.3Very high59 Ų5937.7 Ų37.722%0.22319%0.193CC..EExtended strand (participates in β ladder)trans-72.1137.6167.5-63.7161.261.9-163.70.8107.6T272 R273 G275 G277 F279 E282T272-R307 CarbonylContact C-O 3.56Å; T272-R307 WeakPolarHBondContact CA-O 3.37Å; T272-R307 WeakPolarHBondContact CB-O 3.45Å; R273-R307 HydrophobicContact CB-CB 4.49Å; R273-R307 PolarHBondContact N-O 2.93Å; R273-R307 PolarHBondContact O-N 2.68Å; G275-R307 WeakPolarHBondContact O-CD 3.13Å; G275-R307 PolarHBondContact O-NH1 2.89Å; G275-R307 VanDerWaalsContact O-NH1 3.11Å; G277-R307 PolarHBondContact O-NH1 2.87Å; G277-R307 PolarHBondContact O-NH2 3.1Å; F279-R307 HydrophobicContact CD1-CB 3.84Å; F279-R307 HydrophobicContact CE1-CB 3.92Å; E282-R307 HydrophobicContact CG-CB 4.5Å; E282-R307 VanDerWaalsContact OE1-CB 3.29Å; E282-R307 WeakPolarHBondContact OE1-CB 3.29Å; E282-R307 WeakPolarHBondContact OE1-CD 3.35Å; E282-R307 WeakPolarHBondContact OE1-CG 3.33Å; E282-R307 IonicContact OE1-CZ 2.85Å; E282-R307 IonicContact OE1-NE 2.66Å; E282-R307 PolarHBondContact OE1-NE 3.43Å; E282-R307 IonicContact OE1-NH2 2.83Å; E282-R307 IonicContact OE2-CZ 3.79Å; E282-R307 VanDerWaalsContact OE2-CZ 3.25Å; E282-R307 IonicContact OE2-NE 3.37Å; E282-R307 PolarHBondContact OE2-NE 3.47Å; E282-R307 VanDerWaalsContact OE2-NE 3.1Å; E282-R307 IonicContact OE2-NH2 2.75Å; E282-R307 PolarHBondContact OE2-NH2 3.23Å
308T98Very high90.5Very high2 Ų239.7 Ų39.71%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-119.6148.7-177.544.70000110.6Y270 T272 L283 G288 L291 C292 E297Y270-T308 HydrophobicContact CE2-CG2 4.47Å; T272-T308 HydrophobicContact CG2-CG2 4Å; L283-T308 PolarHBondContact N-O 3.34Å; G288-T308 PolarHBondContact O-OG1 2.91Å; L291-T308 HydrophobicContact CB-CG2 4.27Å; C292-T308 HydrophobicContact CB-CG2 3.88Å; E297-T308 HydrophobicContact CB-CG2 4.24Å; E297-T308 HydrophobicContact CG-CG2 4.24Å
309G98.4Very high90.9Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-163.1168-178.100000112.5Y270 S271 T281Y270-G309 WeakPolarHBondContact CB-O 3.44Å; S271-G309 PolarHBondContact N-O 2.99Å; S271-G309 PolarHBondContact O-N 3.29Å; T281-G309 CarbonylContact O-C 3.56Å; T281-G309 WeakPolarHBondContact O-CA 3.46Å
310W98.7Very high91.9Very high12 Ų1235.5 Ų35.55%0.04518%0.182CC..  trans-61.9160.5174.5-68119.1000112.1S271 T281 L283 T287 D312 L339 V342 K343 Y373S271-W310 VanDerWaalsContact CB-O 3.27Å; S271-W310 WeakPolarHBondContact CB-O 3.24Å; S271-W310 PolarHBondContact OG-O 2.6Å; T281-W310 WeakPolarHBondContact CB-O 3.25Å; T281-W310 PolarHBondContact O-N 3.28Å; T281-W310 VanDerWaalsContact O-N 3.12Å; T281-W310 PolarHBondContact OG1-O 2.87Å; L283-W310 HydrophobicContact CD1-CD2 4.1Å; L283-W310 HydrophobicContact CD1-CG 4.17Å; L283-W310 HydrophobicContact CD1-CZ2 4.37Å; T287-W310 HydrophobicContact CG2-CH2 3.62Å; T287-W310 HydrophobicContact CG2-CZ2 3.54Å; W310-D312 PolarHBondContact O-N 3.49Å; W310-L339 HydrophobicContact CH2-CD1 3.94Å; W310-L339 HydrophobicContact CZ3-CD1 4.03Å; W310-V342 HydrophobicContact CZ3-CB 4.24Å; W310-V342 HydrophobicContact CZ3-CG1 4.39Å; W310-K343 HydrophobicContact CB-CB 4.5Å; W310-K343 WeakPolarHBondContact CB-O 3.46Å; W310-K343 HydrophobicContact CD2-CB 3.82Å; W310-K343 HydrophobicContact CE3-CB 4.42Å; W310-K343 HydrophobicContact CG-CB 3.83Å; W310-K343 HydrophobicContact CZ2-CG 4.38Å; W310-Y373 HydrophobicContact CB-CE1 3.87Å; W310-Y373 AromaticContact CD1-CE1 3.77Å; W310-Y373 AromaticContact CD1-CZ 3.77Å; W310-Y373 HydrophobicContact CG-CE1 4.13Å
311L98.8Very high93.1Very high0 Ų039.2 Ų39.20%019%0.19CC..EExtended strand (participates in β ladder)trans-64.9129.1175.3174.559.9000110.4L267 T313 V316 L344 C345 Y399 I403L267-L311 HydrophobicContact CD1-CD1 3.73Å; L267-L311 HydrophobicContact CD2-CD2 4.47Å; L267-L311 HydrophobicContact CG-CD1 4.49Å; L311-T313 HydrophobicContact CG-CG2 4.36Å; L311-V316 HydrophobicContact CD1-CG2 4.05Å; L311-L344 HydrophobicContact CB-CD2 3.85Å; L311-L344 HydrophobicContact CD2-CD2 3.74Å; L311-L344 HydrophobicContact CG-CD2 3.99Å; L311-C345 PolarHBondContact O-N 3.44Å; L311-Y399 WeakPolarHBondContact CB-OH 3.42Å; L311-I403 HydrophobicContact CD2-CD1 3.47Å; L311-I403 VanDerWaalsContact CD2-CD1 3.47Å; L311-I403 HydrophobicContact CD2-CG1 3.74Å
312D98.6Very high94.4Very high1 Ų138.1 Ų38.11%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-102.294.6-178-166.7-31.7000111.4W12 S271 T281 W310 V314 A315 V316 Y348W12-D312 HydrophobicContact CH2-CB 4.47Å; S271-D312 PolarHBondContact OG-N 2.91Å; T281-D312 HydrophobicContact CG2-CB 3.87Å; W310-D312 PolarHBondContact O-N 3.49Å; D312-V314 VanDerWaalsContact C-N 3.29Å; D312-V314 PolarHBondContact O-N 2.79Å; D312-V314 WeakPolarHBondContact OD1-CB 3.47Å; D312-V314 PolarHBondContact OD1-N 3.08Å; D312-V314 VanDerWaalsContact OD1-N 3.11Å; D312-A315 HydrophobicContact CB-CB 4.02Å; D312-A315 PolarHBondContact O-N 3.12Å; D312-A315 PolarHBondContact OD1-N 2.8Å; D312-V316 VanDerWaalsContact O-CG2 3.26Å; D312-V316 WeakPolarHBondContact O-CG2 3.18Å; D312-V316 PolarHBondContact O-N 2.91Å; D312-Y348 PolarHBondContact OD1-OH 3.49Å; D312-Y348 VanDerWaalsContact OD1-OH 3.1Å; D312-Y348 WeakPolarHBondContact OD2-CE1 3.37Å; D312-Y348 VanDerWaalsContact OD2-CZ 3.31Å; D312-Y348 PolarHBondContact OD2-OH 3.29Å
313T98.3Very high95.7Very high1 Ų134.4 Ų34.41%0.00616%0.158CC..Hα-helixtrans-75.1-19.3-177.770.70000112.9L311 R317 L344 C345 L406L311-T313 HydrophobicContact CG-CG2 4.36Å; T313-R317 WeakPolarHBondContact O-CB 3Å; T313-R317 WeakPolarHBondContact O-CG 3.45Å; T313-R317 PolarHBondContact O-N 2.97Å; T313-L344 HydrophobicContact CG2-CB 4.42Å; T313-L344 HydrophobicContact CG2-CD2 4.08Å; T313-C345 WeakPolarHBondContact CB-O 3.42Å; T313-C345 PolarHBondContact N-O 2.75Å; T313-C345 PolarHBondContact OG1-O 2.75Å; T313-L406 HydrophobicContact CG2-CB 4.46Å; T313-L406 HydrophobicContact CG2-CD1 3.9Å
314V98Very high96.6Very high1 Ų136.4 Ų36.41%0.00616%0.164CC..Hα-helixtrans-65.9-46.8171.6179.70000109.5D312 R317 R318 A347 Y348 T359D312-V314 VanDerWaalsContact C-N 3.29Å; D312-V314 PolarHBondContact O-N 2.79Å; D312-V314 WeakPolarHBondContact OD1-CB 3.47Å; D312-V314 PolarHBondContact OD1-N 3.08Å; D312-V314 VanDerWaalsContact OD1-N 3.11Å; V314-R317 PolarHBondContact O-N 3.4Å; V314-R318 PolarHBondContact O-N 2.83Å; V314-A347 VanDerWaalsContact CG2-CA 3.49Å; V314-Y348 HydrophobicContact CB-CD1 4.45Å; V314-Y348 HydrophobicContact CB-CD2 4.44Å; V314-Y348 HydrophobicContact CB-CE1 4.03Å; V314-Y348 HydrophobicContact CB-CE2 4.03Å; V314-Y348 HydrophobicContact CG1-CD2 3.79Å; V314-Y348 HydrophobicContact CG1-CE1 4.4Å; V314-Y348 HydrophobicContact CG1-CE2 3.54Å; V314-Y348 HydrophobicContact CG1-CG 4.33Å; V314-Y348 HydrophobicContact CG2-CD1 4.26Å; V314-Y348 HydrophobicContact CG2-CE1 4.22Å; V314-T359 HydrophobicContact CG1-CG2 4.21Å
315A97.2Very high97.4Very high1 Ų130.5 Ų30.51%0.00814%0.143CC..Hα-helixtrans-68.3-38.2177.400000112.2W12 L228 D312 R318 A319 T359W12-A315 HydrophobicContact CH2-CB 4.24Å; L228-A315 HydrophobicContact CD1-CB 3.55Å; D312-A315 HydrophobicContact CB-CB 4.02Å; D312-A315 PolarHBondContact O-N 3.12Å; D312-A315 PolarHBondContact OD1-N 2.8Å; A315-R318 WeakPolarHBondContact O-CB 3.45Å; A315-R318 PolarHBondContact O-N 3.29Å; A315-A319 PolarHBondContact O-N 3.37Å; A315-A319 VanDerWaalsContact O-N 3.14Å; A315-T359 HydrophobicContact CB-CG2 4.32Å
316V98.2Very high97.8Very high2 Ų226.6 Ų26.61%0.01213%0.134CC..Hα-helixtrans-67.1-39.1175.7174.60000112.2Q11 L267 L311 D312 R318 A319 V320 F328 T407Q11-V316 HydrophobicContact CG-CG2 4.44Å; L267-V316 HydrophobicContact CD1-CG1 4.22Å; L267-V316 HydrophobicContact CD1-CG2 3.47Å; L267-V316 VanDerWaalsContact CD1-CG2 3.47Å; L267-V316 HydrophobicContact CD2-CG1 4.46Å; L311-V316 HydrophobicContact CD1-CG2 4.05Å; D312-V316 VanDerWaalsContact O-CG2 3.26Å; D312-V316 WeakPolarHBondContact O-CG2 3.18Å; D312-V316 PolarHBondContact O-N 2.91Å; V316-R318 PolarHBondContact O-N 2.66Å; V316-A319 CarbonylContact O-C 3.57Å; V316-A319 WeakPolarHBondContact O-CA 3.35Å; V316-A319 WeakPolarHBondContact O-CB 3.34Å; V316-A319 PolarHBondContact O-N 3.1Å; V316-V320 WeakPolarHBondContact O-CG2 3.23Å; V316-V320 PolarHBondContact O-N 3.2Å; V316-F328 HydrophobicContact CG1-CE1 3.97Å; V316-F328 HydrophobicContact CG1-CZ 3.64Å; V316-T407 HydrophobicContact CB-CG2 4.4Å; V316-T407 HydrophobicContact CG1-CG2 3.72Å
317R98Very high98.1Very high65 Ų6525.5 Ų25.525%0.24513%0.13CC..Hα-helixtrans-58.3-37.1172.8-79.4169.1179.7153.33.7112.1T313 V314 A319 V320 Q321 V346 L406T313-R317 WeakPolarHBondContact O-CB 3Å; T313-R317 WeakPolarHBondContact O-CG 3.45Å; T313-R317 PolarHBondContact O-N 2.97Å; V314-R317 PolarHBondContact O-N 3.4Å; R317-A319 VanDerWaalsContact C-N 3.32Å; R317-V320 WeakPolarHBondContact O-CB 3.37Å; R317-V320 PolarHBondContact O-N 3.34Å; R317-Q321 PolarHBondContact O-N 2.9Å; R317-V346 PolarHBondContact NH1-O 2.98Å; R317-V346 VanDerWaalsContact NH1-O 3.1Å; R317-L406 PolarHBondContact NE-O 2.86Å; R317-L406 VanDerWaalsContact NH2-CD2 3.25Å; R317-L406 PolarHBondContact NH2-O 2.93Å
318R97.4Very high98.2Very high42 Ų4222.7 Ų22.716%0.15812%0.119CC..Hα-helixtrans-61.7-43.7172179.464.972.5162.816.8110.6V314 A315 V316 Q321 L322 T359V314-R318 PolarHBondContact O-N 2.83Å; A315-R318 WeakPolarHBondContact O-CB 3.45Å; A315-R318 PolarHBondContact O-N 3.29Å; V316-R318 PolarHBondContact O-N 2.66Å; R318-Q321 PolarHBondContact O-N 3.19Å; R318-L322 HydrophobicContact CG-CD1 3.72Å; R318-L322 HydrophobicContact CG-CG 4.3Å; R318-L322 VanDerWaalsContact O-CG 3.26Å; R318-L322 WeakPolarHBondContact O-CG 3.36Å; R318-L322 PolarHBondContact O-N 3.1Å; R318-T359 HydrophobicContact CB-CG2 3.91Å; R318-T359 HydrophobicContact CG-CG2 4.41Å; R318-T359 PolarHBondContact NE-OG1 3.24Å; R318-T359 PolarHBondContact NH2-O 2.91Å; R318-T359 PolarHBondContact NH2-OG1 3.1Å
319A97.9Very high98.3Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-64.5-37.7175.800000113.4T10 T227 A315 V316 R317 N323T10-A319 WeakPolarHBondContact O-CB 3.4Å; T227-A319 HydrophobicContact CG2-CB 3.8Å; A315-A319 PolarHBondContact O-N 3.37Å; A315-A319 VanDerWaalsContact O-N 3.14Å; V316-A319 CarbonylContact O-C 3.57Å; V316-A319 WeakPolarHBondContact O-CA 3.35Å; V316-A319 WeakPolarHBondContact O-CB 3.34Å; V316-A319 PolarHBondContact O-N 3.1Å; R317-A319 VanDerWaalsContact C-N 3.32Å; A319-N323 WeakPolarHBondContact O-CB 3.34Å; A319-N323 PolarHBondContact O-N 3.11Å; A319-N323 VanDerWaalsContact O-N 3.12Å; A319-N323 PolarHBondContact O-ND2 3.19Å
320V98.6Very high98.2Very high25 Ų2522.6 Ų22.615%0.15212%0.119CC..Hα-helixtrans-56.3-51.8171.41710000110.5V316 R317 S324 L325 F328 V409V316-V320 WeakPolarHBondContact O-CG2 3.23Å; V316-V320 PolarHBondContact O-N 3.2Å; R317-V320 WeakPolarHBondContact O-CB 3.37Å; R317-V320 PolarHBondContact O-N 3.34Å; V320-S324 WeakPolarHBondContact O-CA 3.43Å; V320-S324 PolarHBondContact O-N 2.57Å; V320-L325 HydrophobicContact CB-CD1 4.48Å; V320-L325 HydrophobicContact CG2-CD1 3.95Å; V320-L325 PolarHBondContact O-N 2.93Å; V320-F328 HydrophobicContact CG2-CE1 4.39Å; V320-F328 HydrophobicContact CG2-CE2 4.37Å; V320-F328 HydrophobicContact CG2-CZ 3.57Å; V320-V409 HydrophobicContact CB-CG2 4.39Å; V320-V409 HydrophobicContact CG1-CG2 3.53Å; V320-V409 HydrophobicContact CG2-CB 4.5Å; V320-V409 HydrophobicContact CG2-CG2 3.9Å
321Q98.1Very high98.2Very high132 Ų13222.1 Ų22.162%0.61712%0.117SC*.Hα-helixtrans-58.9-50-179.4174.6-177.87100112.2R317 R318 N323R317-Q321 PolarHBondContact O-N 2.9Å; R318-Q321 PolarHBondContact O-N 3.19Å; Q321-N323 PolarHBondContact O-N 3.31Å
322L97.5Very high98Very high47 Ų4724.3 Ų24.325%0.24613%0.127CC..Hα-helixtrans-71.6-29.7-172.3-67169.2000113.4T227 H233 T245 R318T227-L322 HydrophobicContact CG2-CD1 3.98Å; H233-L322 HydrophobicContact CB-CD1 3.55Å; H233-L322 HydrophobicContact CB-CD2 4.24Å; T245-L322 HydrophobicContact CG2-CB 4.28Å; R318-L322 HydrophobicContact CG-CD1 3.72Å; R318-L322 HydrophobicContact CG-CG 4.3Å; R318-L322 VanDerWaalsContact O-CG 3.26Å; R318-L322 WeakPolarHBondContact O-CG 3.36Å; R318-L322 PolarHBondContact O-N 3.1Å
323N98.7Very high98Very high1 Ų124.2 Ų24.21%0.00513%0.126CC..Hα-helixtrans-106-4.2-174.2-64-75.5000113.5L8 T227 T245 A246 V263 A319 Q321 L325L8-N323 HydrophobicContact CD2-CB 4.2Å; L8-N323 VanDerWaalsContact CD2-OD1 3.28Å; L8-N323 WeakPolarHBondContact CD2-OD1 3.24Å; T227-N323 PolarHBondContact OG1-ND2 2.91Å; T245-N323 WeakPolarHBondContact CA-OD1 3.32Å; T245-N323 WeakPolarHBondContact CB-OD1 3.34Å; A246-N323 HydrophobicContact CB-CB 4.3Å; A246-N323 PolarHBondContact N-OD1 2.74Å; V263-N323 HydrophobicContact CG1-CB 4.28Å; A319-N323 WeakPolarHBondContact O-CB 3.34Å; A319-N323 PolarHBondContact O-N 3.11Å; A319-N323 VanDerWaalsContact O-N 3.12Å; A319-N323 PolarHBondContact O-ND2 3.19Å; Q321-N323 PolarHBondContact O-N 3.31Å; N323-L325 VanDerWaalsContact C-N 3.28Å; N323-L325 HydrophobicContact CB-CD2 3.5Å; N323-L325 HydrophobicContact CB-CG 3.95Å; N323-L325 PolarHBondContact O-N 2.77Å
324S98.4Very high97.9Very high92 Ų9225.3 Ų25.364%0.64313%0.132SC*.THydrogen-bonded Turntrans48.152-171.847.20000111.7V320 S326V320-S324 WeakPolarHBondContact O-CA 3.43Å; V320-S324 PolarHBondContact O-N 2.57Å; S324-S326 PolarHBondContact O-N 3.08Å
325L98.7Very high97.9Very high12 Ų1225.4 Ų25.46%0.06313%0.133CC..  trans-58.3129-172.5-63.3-178.4000111.5L8 T10 V263 V320 N323 F328 V409L8-L325 HydrophobicContact CD1-CD2 4.28Å; T10-L325 HydrophobicContact CG2-CD1 3.78Å; V263-L325 HydrophobicContact CB-CD2 4.32Å; V263-L325 HydrophobicContact CG1-CD2 3.59Å; V320-L325 HydrophobicContact CB-CD1 4.48Å; V320-L325 HydrophobicContact CG2-CD1 3.95Å; V320-L325 PolarHBondContact O-N 2.93Å; N323-L325 VanDerWaalsContact C-N 3.28Å; N323-L325 HydrophobicContact CB-CD2 3.5Å; N323-L325 HydrophobicContact CB-CG 3.95Å; N323-L325 PolarHBondContact O-N 2.77Å; L325-F328 HydrophobicContact CD1-CD1 4.17Å; L325-F328 HydrophobicContact CD1-CE1 3.38Å; L325-F328 HydrophobicContact CD1-CZ 3.95Å; L325-V409 HydrophobicContact CB-CG1 4.24Å; L325-V409 HydrophobicContact CB-CG2 4.45Å
326S98.6Very high97.9Very high40 Ų4025.3 Ų25.328%0.2813%0.132SC..  trans-85.7-32179.4-47.10000111.7Y262 V263 S324Y262-S326 VanDerWaalsContact CD2-CB 3.47Å; Y262-S326 VanDerWaalsContact CE2-CB 3.42Å; V263-S326 PolarHBondContact N-OG 3.37Å; V263-S326 PolarHBondContact O-N 3.12Å; S324-S326 PolarHBondContact O-N 3.08Å
327G98.5Very high97.9Very high0 Ų026.2 Ų26.20%014%0.137CC..EExtended strand (participates in β ladder)trans-169.7171.4175.500000111.5Y262 G265 V409 P410Y262-G327 VanDerWaalsContact OH-CA 3.24Å; Y262-G327 WeakPolarHBondContact OH-CA 3.44Å; Y262-G327 PolarHBondContact OH-N 2.84Å; G265-G327 PolarHBondContact N-O 2.91Å; G327-V409 VanDerWaalsContact CA-CG1 3.48Å; G327-P410 CarbonylContact C-O 3.54Å; G327-P410 WeakPolarHBondContact CA-O 3.34Å
328F98.7Very high97.9Very high0 Ų025.8 Ų25.80%015%0.152CC..EExtended strand (participates in β ladder)trans-110.6150.8178.2-68.4-66.2000112.7T10 G265 L267 V316 V320 L325 T407 V409 P410 I411 D412 I413T10-F328 HydrophobicContact CG2-CD1 4.22Å; T10-F328 HydrophobicContact CG2-CE1 3.9Å; G265-F328 CarbonylContact O-C 3.51Å; G265-F328 VanDerWaalsContact O-CA 3.23Å; G265-F328 WeakPolarHBondContact O-CA 3.37Å; G265-F328 WeakPolarHBondContact O-CD1 2.97Å; L267-F328 HydrophobicContact CB-CD1 4.01Å; L267-F328 HydrophobicContact CD2-CD1 4.3Å; L267-F328 HydrophobicContact CD2-CE1 4.43Å; L267-F328 HydrophobicContact CD2-CG 4.41Å; V316-F328 HydrophobicContact CG1-CE1 3.97Å; V316-F328 HydrophobicContact CG1-CZ 3.64Å; V320-F328 HydrophobicContact CG2-CE1 4.39Å; V320-F328 HydrophobicContact CG2-CE2 4.37Å; V320-F328 HydrophobicContact CG2-CZ 3.57Å; L325-F328 HydrophobicContact CD1-CD1 4.17Å; L325-F328 HydrophobicContact CD1-CE1 3.38Å; L325-F328 HydrophobicContact CD1-CZ 3.95Å; F328-T407 HydrophobicContact CE2-CG2 4.25Å; F328-T407 WeakPolarHBondContact CE2-OG1 3.37Å; F328-T407 HydrophobicContact CZ-CG2 4.35Å; F328-V409 HydrophobicContact CD2-CB 3.95Å; F328-V409 HydrophobicContact CD2-CG1 3.61Å; F328-V409 HydrophobicContact CE2-CB 3.48Å; F328-V409 VanDerWaalsContact CE2-CB 3.48Å; F328-V409 HydrophobicContact CE2-CG1 3.58Å; F328-V409 HydrophobicContact CE2-CG2 4.49Å; F328-V409 HydrophobicContact CG-CG1 4.24Å; F328-V409 HydrophobicContact CZ-CB 4.14Å; F328-V409 HydrophobicContact CZ-CG1 4.16Å; F328-P410 PolarHBondContact N-O 3.04Å; F328-I411 HydrophobicContact CB-CG1 3.93Å; F328-I411 HydrophobicContact CD2-CG1 4.28Å; F328-D412 PolarHBondContact O-N 2.89Å; F328-I413 PolarHBondContact O-N 2.75Å; F328-I413 VanDerWaalsContact O-N 3.12Å
329C98.1Very high97.9Very high0 Ų024.8 Ų24.80%015%0.15CC..EExtended strand (participates in β ladder)trans-104.8114.8151.3179.80000109I20 L264 G265 I266 L267 I413I20-C329 WeakPolarHBondContact CD1-SG 3.4Å; I20-C329 HydrophobicContact CG1-CB 4.47Å; I20-C329 VanDerWaalsContact CG1-SG 3.57Å; I20-C329 HydrophobicContact CG2-CB 4.39Å; L264-C329 HydrophobicContact CD1-CB 4.36Å; L264-C329 HydrophobicContact CD2-CB 4.32Å; L264-C329 HydrophobicContact CG-CB 4.43Å; G265-C329 PolarHBondContact O-N 2.92Å; I266-C329 HydrophobicContact CD1-CB 3.5Å; L267-C329 PolarHBondContact N-O 3.01Å; C329-I413 CarbonylContact C-O 3.58Å; C329-I413 VanDerWaalsContact CA-O 3.24Å; C329-I413 WeakPolarHBondContact CA-O 3.21Å; C329-I413 HydrophobicContact CB-CB 3.87Å; C329-I413 HydrophobicContact CB-CG2 4.31Å; C329-I413 VanDerWaalsContact SG-CG2 3.5Å
330L98Very high97.9Very high0 Ų033.6 Ų33.60%019%0.188CC..EExtended strand (participates in β ladder)trans-84.9118.9174.4-173.269.9000109.9L267 A269 L333 I400 I403 I411 I413 I414 S415L267-L330 HydrophobicContact CD2-CD1 4.08Å; L267-L330 HydrophobicContact CG-CD1 4.07Å; L267-L330 CarbonylContact O-C 3.56Å; L267-L330 VanDerWaalsContact O-CA 3.28Å; L267-L330 WeakPolarHBondContact O-CA 3.45Å; A269-L330 HydrophobicContact CB-CD1 4.23Å; L330-L333 HydrophobicContact CD2-CD1 4.2Å; L330-I400 HydrophobicContact CD2-CG1 3.64Å; L330-I403 HydrophobicContact CD1-CD1 4.09Å; L330-I403 HydrophobicContact CD2-CD1 4.39Å; L330-I411 HydrophobicContact CB-CD1 4.24Å; L330-I411 HydrophobicContact CB-CG2 3.86Å; L330-I411 HydrophobicContact CD2-CD1 4.2Å; L330-I413 PolarHBondContact N-O 2.9Å; L330-I414 CarbonylContact O-C 3.21Å; L330-S415 PolarHBondContact O-N 3.32Å
331T97Very high97.9Very high3 Ų337.2 Ų37.22%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-112157.2-177.967.80000112.8E15 I20 I266 L267 K268 A269 L333E15-T331 WeakPolarHBondContact O-CB 3.25Å; E15-T331 WeakPolarHBondContact O-CG2 3.43Å; E15-T331 PolarHBondContact O-OG1 3.21Å; I20-T331 HydrophobicContact CD1-CG2 4.48Å; I20-T331 HydrophobicContact CG1-CG2 4.29Å; I266-T331 HydrophobicContact CG2-CG2 3.82Å; L267-T331 PolarHBondContact O-N 3.01Å; L267-T331 PolarHBondContact O-OG1 2.72Å; K268-T331 WeakPolarHBondContact CA-OG1 3.44Å; A269-T331 PolarHBondContact N-O 3.12Å; T331-L333 VanDerWaalsContact C-N 3.28Å; T331-L333 PolarHBondContact O-N 2.96Å
332K95.9Very high97.9Very high45 Ų4531 Ų3120%0.19617%0.174CC..  trans5540.2176.8-56.5-155.9-173.5177.40113.7K268 Y270 G295 E297 D334 V335 S415K268-K332 HydrophobicContact CD-CB 4.35Å; K268-K332 HydrophobicContact CD-CD 3.86Å; K268-K332 HydrophobicContact CD-CG 4.23Å; K268-K332 HydrophobicContact CG-CB 4.12Å; K268-K332 HydrophobicContact CG-CG 4.41Å; Y270-K332 HydrophobicContact CE1-CB 4.03Å; Y270-K332 HydrophobicContact CE1-CD 4.39Å; G295-K332 PolarHBondContact O-NZ 2.91Å; E297-K332 IonicContact OE1-NZ 3.04Å; E297-K332 PolarHBondContact OE1-NZ 2.98Å; E297-K332 IonicContact OE2-NZ 2.85Å; K332-D334 VanDerWaalsContact CA-OD1 3.29Å; K332-D334 WeakPolarHBondContact CA-OD1 3.49Å; K332-D334 PolarHBondContact O-N 3.44Å; K332-V335 HydrophobicContact CB-CB 4.44Å; K332-V335 HydrophobicContact CB-CG2 3.79Å; K332-V335 HydrophobicContact CD-CG2 4.11Å; K332-V335 HydrophobicContact CG-CG2 4.48Å; K332-V335 WeakPolarHBondContact O-CB 2.95Å; K332-V335 PolarHBondContact O-N 2.88Å; K332-S415 PolarHBondContact N-O 2.85Å
333L97.7Very high98Very high0 Ų031.9 Ų31.90%018%0.176CC..G310 helixtrans-62.3-35.3175.2-176.862.2000111.3A269 L330 T331 V335 L336 W379 T383 L392 A396 Y399 I400 I414A269-L333 HydrophobicContact CB-CD1 4.35Å; L330-L333 HydrophobicContact CD2-CD1 4.2Å; T331-L333 VanDerWaalsContact C-N 3.28Å; T331-L333 PolarHBondContact O-N 2.96Å; L333-V335 PolarHBondContact O-N 2.98Å; L333-V335 VanDerWaalsContact O-N 3.16Å; L333-L336 PolarHBondContact O-N 2.85Å; L333-W379 HydrophobicContact CD1-CH2 3.9Å; L333-W379 HydrophobicContact CD1-CZ2 3.72Å; L333-W379 HydrophobicContact CG-CZ2 4.24Å; L333-T383 HydrophobicContact CD2-CG2 4.21Å; L333-T383 HydrophobicContact CG-CG2 4.28Å; L333-L392 HydrophobicContact CD2-CD2 4.24Å; L333-A396 HydrophobicContact CD2-CB 4.48Å; L333-Y399 HydrophobicContact CD1-CD1 4.15Å; L333-I400 HydrophobicContact CD2-CD1 3.89Å; L333-I400 HydrophobicContact CD2-CG1 4.5Å; L333-I414 HydrophobicContact CD2-CG2 4.11Å
334D96.9Very high98Very high24 Ų2431.8 Ų31.813%0.12818%0.176CC..G310 helixtrans-57.5-24.1176.756.9-68000114.2K332 L336 D337 T383 F384 T416 G417K332-D334 VanDerWaalsContact CA-OD1 3.29Å; K332-D334 WeakPolarHBondContact CA-OD1 3.49Å; K332-D334 PolarHBondContact O-N 3.44Å; D334-L336 PolarHBondContact O-N 2.97Å; D334-D337 VanDerWaalsContact O-CB 3.3Å; D334-D337 WeakPolarHBondContact O-CB 3.39Å; D334-D337 PolarHBondContact O-N 2.73Å; D334-T383 WeakPolarHBondContact CA-OG1 3.47Å; D334-T383 PolarHBondContact N-OG1 3.02Å; D334-F384 HydrophobicContact CB-CB 3.95Å; D334-F384 HydrophobicContact CB-CD2 3.89Å; D334-F384 HydrophobicContact CB-CG 4.43Å; D334-T416 WeakPolarHBondContact CB-O 3.36Å; D334-T416 VanDerWaalsContact OD1-C 3.32Å; D334-G417 PolarHBondContact OD1-N 3.36Å
335V97.6Very high98Very high2 Ų227.4 Ų27.41%0.01215%0.145CC..G310 helixtrans-69.9-21.9177.7176.70000112.1Y270 F290 L291 Q294 K332 L333Y270-V335 HydrophobicContact CD1-CB 4.36Å; Y270-V335 HydrophobicContact CD1-CG1 4.16Å; Y270-V335 HydrophobicContact CE1-CB 3.62Å; Y270-V335 HydrophobicContact CE1-CG1 3.45Å; Y270-V335 VanDerWaalsContact CE1-CG1 3.45Å; Y270-V335 HydrophobicContact CE1-CG2 4.02Å; F290-V335 WeakPolarHBondContact CE1-O 3.43Å; L291-V335 HydrophobicContact CD2-CG1 3.99Å; Q294-V335 HydrophobicContact CB-CG1 3.92Å; K332-V335 HydrophobicContact CB-CB 4.44Å; K332-V335 HydrophobicContact CB-CG2 3.79Å; K332-V335 HydrophobicContact CD-CG2 4.11Å; K332-V335 HydrophobicContact CG-CG2 4.48Å; K332-V335 WeakPolarHBondContact O-CB 2.95Å; K332-V335 PolarHBondContact O-N 2.88Å; L333-V335 PolarHBondContact O-N 2.98Å; L333-V335 VanDerWaalsContact O-N 3.16Å
336L98.4Very high98Very high0 Ų028.1 Ų28.10%015%0.15CC..G310 helixtrans-86.6-8.5177.8-55.7-173.3000113.1A269 Y270 L291 L333 D334 G338 L339 V342 W379 Y399A269-L336 HydrophobicContact CB-CD1 3.88Å; A269-L336 HydrophobicContact CB-CG 4.25Å; Y270-L336 HydrophobicContact CD1-CD2 4.24Å; L291-L336 HydrophobicContact CD2-CD2 3.59Å; L333-L336 PolarHBondContact O-N 2.85Å; D334-L336 PolarHBondContact O-N 2.97Å; L336-G338 PolarHBondContact O-N 2.77Å; L336-L339 HydrophobicContact CB-CD1 4.36Å; L336-L339 HydrophobicContact CD2-CD1 4.09Å; L336-L339 WeakPolarHBondContact O-CB 3.47Å; L336-L339 PolarHBondContact O-N 2.72Å; L336-V342 HydrophobicContact CB-CG1 4.39Å; L336-V342 HydrophobicContact CD1-CG1 4.36Å; L336-W379 HydrophobicContact CB-CH2 4.14Å; L336-W379 HydrophobicContact CB-CZ2 3.71Å; L336-W379 HydrophobicContact CD1-CH2 4.14Å; L336-W379 HydrophobicContact CD1-CZ2 4.42Å; L336-Y399 HydrophobicContact CD1-CD1 4.41Å; L336-Y399 HydrophobicContact CD1-CE1 3.74Å
337D98.1Very high98Very high21 Ų2126.8 Ų26.811%0.11214%0.141CC..THydrogen-bonded Turntrans-57135-179.9-65-6.8000111F290 D334 L339 W379 S382 T383 F384F290-D337 WeakPolarHBondContact CZ-O 3.43Å; D334-D337 VanDerWaalsContact O-CB 3.3Å; D334-D337 WeakPolarHBondContact O-CB 3.39Å; D334-D337 PolarHBondContact O-N 2.73Å; D337-L339 VanDerWaalsContact C-N 3.34Å; D337-L339 PolarHBondContact O-N 3.45Å; D337-W379 PolarHBondContact OD1-NE1 2.92Å; D337-S382 VanDerWaalsContact OD2-CA 3.3Å; D337-S382 WeakPolarHBondContact OD2-CA 3.41Å; D337-S382 PolarHBondContact OD2-OG 2.71Å; D337-T383 VanDerWaalsContact CG-N 3.31Å; D337-T383 WeakPolarHBondContact OD1-CB 3.45Å; D337-T383 WeakPolarHBondContact OD1-CG2 3.32Å; D337-T383 PolarHBondContact OD1-N 2.69Å; D337-T383 PolarHBondContact OD1-OG1 2.94Å; D337-T383 PolarHBondContact OD2-N 2.9Å; D337-T383 PolarHBondContact OD2-OG1 3.26Å; D337-F384 PolarHBondContact OD2-N 3.36Å
338G97.2Very high98Very high55 Ų5526.8 Ų26.857%0.56714%0.141SC*.THydrogen-bonded Turntrans87.4-8.4177.900000115.2L336 W379L336-G338 PolarHBondContact O-N 2.77Å; G338-W379 WeakPolarHBondContact CA-O 3.43Å; G338-W379 PolarHBondContact N-O 2.65Å
339L98.1Very high98Very high22 Ų2231.2 Ų31.212%0.11516%0.158CC..  trans-69.9135.1169.7-68.7170.5000110.1T287 F290 L291 W310 L336 D337 V342 G378 W379T287-L339 HydrophobicContact CG2-CD2 4.1Å; F290-L339 HydrophobicContact CD1-CD1 4.41Å; F290-L339 HydrophobicContact CD1-CD2 3.86Å; F290-L339 HydrophobicContact CD1-CG 4.19Å; F290-L339 HydrophobicContact CE1-CD1 4.19Å; F290-L339 HydrophobicContact CE1-CD2 3.92Å; F290-L339 HydrophobicContact CE1-CG 3.8Å; L291-L339 HydrophobicContact CD2-CD1 4.31Å; W310-L339 HydrophobicContact CH2-CD1 3.94Å; W310-L339 HydrophobicContact CZ3-CD1 4.03Å; L336-L339 HydrophobicContact CB-CD1 4.36Å; L336-L339 HydrophobicContact CD2-CD1 4.09Å; L336-L339 WeakPolarHBondContact O-CB 3.47Å; L336-L339 PolarHBondContact O-N 2.72Å; D337-L339 VanDerWaalsContact C-N 3.34Å; D337-L339 PolarHBondContact O-N 3.45Å; L339-V342 HydrophobicContact CB-CG1 4.26Å; L339-V342 HydrophobicContact CD1-CG1 4.24Å; L339-G378 CarbonylContact O-C 3.55Å; L339-G378 VanDerWaalsContact O-CA 3.26Å; L339-G378 WeakPolarHBondContact O-CA 3.5Å; L339-W379 PolarHBondContact O-N 2.91Å
340K97.9Very high97.9Very high184 Ų18432.3 Ų32.380%0.816%0.163SC*.SBendtrans-70.7-35.5176-173.4-175.6175-169.60112G378K340-G378 PolarHBondContact O-N 3.33Å
341E98.4Very high97.7Very high102 Ų10236.8 Ų36.848%0.47719%0.192SC..EExtended strand (participates in β ladder)trans-137143.7179.4-65.7-179.8167.700109.1T375 M376E341-T375 HydrophobicContact CB-CG2 3.97Å; E341-T375 HydrophobicContact CG-CG2 4.15Å; E341-M376 WeakPolarHBondContact CA-O 3.43Å
342V98.6Very high97.6Very high0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-120.2148.7170.8-62.40000109.1W310 L336 L339 M376 W379 Y399W310-V342 HydrophobicContact CZ3-CB 4.24Å; W310-V342 HydrophobicContact CZ3-CG1 4.39Å; L336-V342 HydrophobicContact CB-CG1 4.39Å; L336-V342 HydrophobicContact CD1-CG1 4.36Å; L339-V342 HydrophobicContact CB-CG1 4.26Å; L339-V342 HydrophobicContact CD1-CG1 4.24Å; V342-M376 HydrophobicContact CG2-CB 3.93Å; V342-M376 PolarHBondContact N-O 2.8Å; V342-M376 PolarHBondContact O-N 2.84Å; V342-W379 HydrophobicContact CG1-CZ3 4.46Å; V342-W379 HydrophobicContact CG2-CZ3 4.31Å; V342-Y399 HydrophobicContact CB-CD2 4.47Å; V342-Y399 HydrophobicContact CB-CE2 4.28Å; V342-Y399 HydrophobicContact CG2-CD2 3.6Å; V342-Y399 HydrophobicContact CG2-CE2 3.86Å; V342-Y399 HydrophobicContact CG2-CG 4.5Å
343K98.8Very high97.5Very high66 Ų6641.3 Ų41.329%0.28723%0.23SC..EExtended strand (participates in β ladder)trans-122.8140.5-177.3-61.5-179.3-177.8173.80111.5W310 Y373 E374 T375W310-K343 HydrophobicContact CB-CB 4.5Å; W310-K343 WeakPolarHBondContact CB-O 3.46Å; W310-K343 HydrophobicContact CD2-CB 3.82Å; W310-K343 HydrophobicContact CE3-CB 4.42Å; W310-K343 HydrophobicContact CG-CB 3.83Å; W310-K343 HydrophobicContact CZ2-CG 4.38Å; K343-Y373 HydrophobicContact CB-CD1 3.82Å; K343-Y373 HydrophobicContact CB-CE1 4.44Å; K343-Y373 HydrophobicContact CB-CG 4.08Å; K343-Y373 HydrophobicContact CD-CD2 4.26Å; K343-Y373 HydrophobicContact CD-CG 4.12Å; K343-E374 WeakPolarHBondContact CA-O 3.43Å; K343-T375 HydrophobicContact CG-CG2 4.37Å
344L98.8Very high97.5Very high0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-114.6125171.1-68.7174000108.6L311 T313 V346 Y373 E374 M376 Y399 R402 I403 L406L311-L344 HydrophobicContact CB-CD2 3.85Å; L311-L344 HydrophobicContact CD2-CD2 3.74Å; L311-L344 HydrophobicContact CG-CD2 3.99Å; T313-L344 HydrophobicContact CG2-CB 4.42Å; T313-L344 HydrophobicContact CG2-CD2 4.08Å; L344-V346 HydrophobicContact CB-CG1 4.35Å; L344-V346 PolarHBondContact O-N 3.05Å; L344-Y373 CarbonylContact O-C 3.6Å; L344-Y373 VanDerWaalsContact O-CA 3.32Å; L344-Y373 WeakPolarHBondContact O-CA 3.23Å; L344-E374 PolarHBondContact N-O 2.83Å; L344-E374 PolarHBondContact O-N 3.44Å; L344-M376 HydrophobicContact CD1-SD 3.71Å; L344-M376 HydrophobicContact CG-SD 4.39Å; L344-Y399 HydrophobicContact CD1-CD2 4.34Å; L344-Y399 HydrophobicContact CD1-CE2 4.12Å; L344-Y399 HydrophobicContact CD2-CD2 4.44Å; L344-Y399 HydrophobicContact CD2-CE2 3.48Å; L344-Y399 VanDerWaalsContact CD2-CE2 3.48Å; L344-Y399 WeakPolarHBondContact CD2-OH 3.32Å; L344-Y399 HydrophobicContact CG-CD2 4.38Å; L344-Y399 HydrophobicContact CG-CE2 3.73Å; L344-R402 HydrophobicContact CD1-CB 4.11Å; L344-R402 HydrophobicContact CD1-CG 3.69Å; L344-I403 HydrophobicContact CD1-CG1 4.4Å; L344-I403 HydrophobicContact CD2-CG1 4.2Å; L344-L406 HydrophobicContact CB-CD1 4.39Å; L344-L406 HydrophobicContact CD1-CD1 3.84Å
345C98.8Very high97.5Very high0 Ų052.8 Ų52.80%028%0.276CS..EExtended strand (participates in β ladder)trans-76.6116170173.90000108.8T281 L311 T313 A347 Y348 P371 I372 Y373T281-C345 HydrophobicContact CG2-CB 3.39Å; L311-C345 PolarHBondContact O-N 3.44Å; T313-C345 WeakPolarHBondContact CB-O 3.42Å; T313-C345 PolarHBondContact N-O 2.75Å; T313-C345 PolarHBondContact OG1-O 2.75Å; C345-A347 PolarHBondContact SG-O 2.92Å; C345-Y348 VanDerWaalsContact SG-CE1 3.5Å; C345-P371 HydrophobicContact CB-CB 4.16Å; C345-I372 WeakPolarHBondContact CA-O 3.31Å; C345-Y373 HydrophobicContact CB-CD1 3.98Å; C345-Y373 HydrophobicContact CB-CE1 3.81Å
346V98.6Very high97.4Very high27 Ų2754.4 Ų54.416%0.16429%0.287CS..EExtended strand (participates in β ladder)trans-106.8-20.2-172.6-63.10000113.4R317 L344 I372 E374 L406R317-V346 PolarHBondContact NH1-O 2.98Å; R317-V346 VanDerWaalsContact NH1-O 3.1Å; L344-V346 HydrophobicContact CB-CG1 4.35Å; L344-V346 PolarHBondContact O-N 3.05Å; V346-I372 HydrophobicContact CG2-CG2 4.5Å; V346-I372 WeakPolarHBondContact CG2-O 3.42Å; V346-I372 PolarHBondContact N-O 3.49Å; V346-E374 HydrophobicContact CG1-CB 3.87Å; V346-L406 HydrophobicContact CB-CD2 4.38Å; V346-L406 HydrophobicContact CG1-CD1 3.76Å; V346-L406 HydrophobicContact CG1-CD2 3.85Å
347A98.5Very high97.3Very high11 Ų1158.3 Ų58.39%0.09131%0.31CS..EExtended strand (participates in β ladder)trans-154.3167176.500000109.8V314 C345 V356 T357 I372V314-A347 VanDerWaalsContact CG2-CA 3.49Å; C345-A347 PolarHBondContact SG-O 2.92Å; A347-V356 CarbonylContact C-O 3.54Å; A347-V356 WeakPolarHBondContact CA-O 3.45Å; A347-T357 HydrophobicContact CB-CG2 4.16Å; A347-I372 HydrophobicContact CB-CB 4.15Å; A347-I372 HydrophobicContact CB-CD1 3.81Å; A347-I372 WeakPolarHBondContact O-CB 3.31Å; A347-I372 PolarHBondContact O-N 3.2Å
348Y98.2Very high97Very high0 Ų060.8 Ų60.80%033%0.326CS..EExtended strand (participates in β ladder)trans-114.2135.6172.4-69-23.9000109.6P280 D312 V314 C345 E355 V356 T359 W366 V369 E370P280-Y348 HydrophobicContact CB-CD1 4.41Å; P280-Y348 HydrophobicContact CB-CE1 3.83Å; P280-Y348 HydrophobicContact CG-CE1 4Å; D312-Y348 PolarHBondContact OD1-OH 3.49Å; D312-Y348 VanDerWaalsContact OD1-OH 3.1Å; D312-Y348 WeakPolarHBondContact OD2-CE1 3.37Å; D312-Y348 VanDerWaalsContact OD2-CZ 3.31Å; D312-Y348 PolarHBondContact OD2-OH 3.29Å; V314-Y348 HydrophobicContact CB-CD1 4.45Å; V314-Y348 HydrophobicContact CB-CD2 4.44Å; V314-Y348 HydrophobicContact CB-CE1 4.03Å; V314-Y348 HydrophobicContact CB-CE2 4.03Å; V314-Y348 HydrophobicContact CG1-CD2 3.79Å; V314-Y348 HydrophobicContact CG1-CE1 4.4Å; V314-Y348 HydrophobicContact CG1-CE2 3.54Å; V314-Y348 HydrophobicContact CG1-CG 4.33Å; V314-Y348 HydrophobicContact CG2-CD1 4.26Å; V314-Y348 HydrophobicContact CG2-CE1 4.22Å; C345-Y348 VanDerWaalsContact SG-CE1 3.5Å; Y348-E355 CarbonylContact O-C 3.57Å; Y348-E355 VanDerWaalsContact O-CA 3.3Å; Y348-E355 WeakPolarHBondContact O-CA 3.5Å; Y348-V356 PolarHBondContact N-O 3Å; Y348-V356 PolarHBondContact O-N 2.85Å; Y348-T359 HydrophobicContact CE2-CG2 4.38Å; Y348-W366 HydrophobicContact CE2-CH2 4.31Å; Y348-W366 AromaticContact CE2-CZ3 3.95Å; Y348-W366 HydrophobicContact CE2-CZ3 3.95Å; Y348-V369 HydrophobicContact CD1-CG1 3.92Å; Y348-V369 HydrophobicContact CD2-CG1 3.9Å; Y348-V369 HydrophobicContact CG-CG1 3.57Å; Y348-E370 CarbonylContact C-O 3.58Å; Y348-E370 WeakPolarHBondContact CA-O 3.36Å
349R98Very high96.9Very high93 Ų9358.7 Ų58.735%0.35130%0.303SS..EExtended strand (participates in β ladder)trans-90.7118164-174.5174-62.8127.16.4108.5R354 E355 E370 I372R349-R354 WeakPolarHBondContact CA-O 3.28Å; R349-E355 IonicContact CZ-OE1 3.72Å; R349-E355 IonicContact NE-OE1 3.25Å; R349-E355 IonicContact NH2-OE1 3.93Å; R349-E355 PolarHBondContact NH2-OE1 3.45Å; R349-E370 HydrophobicContact CB-CB 4.27Å; R349-E370 PolarHBondContact N-O 3.05Å; R349-E370 IonicContact NH1-OE2 3.1Å; R349-E370 PolarHBondContact O-N 2.94Å; R349-I372 HydrophobicContact CB-CD1 4.07Å; R349-I372 HydrophobicContact CB-CG1 4.18Å
350M95.8Very high96.6Very high23 Ų2358.5 Ų58.511%0.11330%0.303CS..  trans-75.8160.5176.4-57.6-54.1-68.100110.3D352 G353 R354 V356 P360 V369M350-D352 WeakPolarHBondContact CB-OD1 3.42Å; M350-D352 PolarHBondContact O-N 3.46Å; M350-G353 WeakPolarHBondContact O-CA 3.48Å; M350-G353 PolarHBondContact O-N 3.49Å; M350-R354 HydrophobicContact CB-CB 4.45Å; M350-R354 HydrophobicContact CG-CB 4.48Å; M350-R354 PolarHBondContact N-O 2.79Å; M350-V356 HydrophobicContact CG-CG1 4.08Å; M350-V356 HydrophobicContact CG-CG2 3.91Å; M350-V356 HydrophobicContact SD-CG2 3.63Å; M350-P360 HydrophobicContact CE-CG 4.08Å; M350-V369 HydrophobicContact CE-CG2 3.95Å; M350-V369 HydrophobicContact SD-CG2 3.91Å
351P94.5Very high95.6Very high94 Ų9456.6 Ų56.661%0.6130%0.3SS*.THydrogen-bonded Turntrans-57.5-23.6177.9-27.335000115.1G353 K367P351-G353 VanDerWaalsContact C-N 3.27Å; P351-K367 VanDerWaalsContact CG-O 3.24Å; P351-K367 WeakPolarHBondContact CG-O 3.38Å
352D94Very high94.7Very high97 Ų9754 Ų5452%0.51930%0.296SS..THydrogen-bonded Turntrans-86.36.4175.26415000113.7M350 R354M350-D352 WeakPolarHBondContact CB-OD1 3.42Å; M350-D352 PolarHBondContact O-N 3.46Å; D352-R354 VanDerWaalsContact C-N 3.33Å; D352-R354 VanDerWaalsContact CG-NE 3.29Å; D352-R354 PolarHBondContact O-N 3.11Å; D352-R354 VanDerWaalsContact OD1-CB 3.31Å; D352-R354 WeakPolarHBondContact OD1-CB 3.47Å; D352-R354 WeakPolarHBondContact OD1-CG 3.38Å; D352-R354 IonicContact OD1-CZ 2.87Å; D352-R354 PolarHBondContact OD1-N 3.06Å; D352-R354 IonicContact OD1-NE 2.71Å; D352-R354 PolarHBondContact OD1-NE 2.85Å; D352-R354 IonicContact OD1-NH2 3.15Å; D352-R354 IonicContact OD2-CZ 3.3Å; D352-R354 IonicContact OD2-NE 3.96Å; D352-R354 PolarHBondContact OD2-NE 2.96Å; D352-R354 IonicContact OD2-NH2 2.86Å; D352-R354 PolarHBondContact OD2-NH2 3.17Å
353G95.4Very high93.8Very high47 Ų4755 Ų5549%0.48530%0.304SS..SBendtrans84.5-5.7178.900000115M350 P351M350-G353 WeakPolarHBondContact O-CA 3.48Å; M350-G353 PolarHBondContact O-N 3.49Å; P351-G353 VanDerWaalsContact C-N 3.27Å
354R96Very high93Very high146 Ų14658.6 Ų58.655%0.55133%0.327SS*.  trans-66.9137177-69.6-177.8-67.5142.8-0.7111R349 M350 D352R349-R354 WeakPolarHBondContact CA-O 3.28Å; M350-R354 HydrophobicContact CB-CB 4.45Å; M350-R354 HydrophobicContact CG-CB 4.48Å; M350-R354 PolarHBondContact N-O 2.79Å; D352-R354 VanDerWaalsContact C-N 3.33Å; D352-R354 VanDerWaalsContact CG-NE 3.29Å; D352-R354 PolarHBondContact O-N 3.11Å; D352-R354 VanDerWaalsContact OD1-CB 3.31Å; D352-R354 WeakPolarHBondContact OD1-CB 3.47Å; D352-R354 WeakPolarHBondContact OD1-CG 3.38Å; D352-R354 IonicContact OD1-CZ 2.87Å; D352-R354 PolarHBondContact OD1-N 3.06Å; D352-R354 IonicContact OD1-NE 2.71Å; D352-R354 PolarHBondContact OD1-NE 2.85Å; D352-R354 IonicContact OD1-NH2 3.15Å; D352-R354 IonicContact OD2-CZ 3.3Å; D352-R354 IonicContact OD2-NE 3.96Å; D352-R354 PolarHBondContact OD2-NE 2.96Å; D352-R354 IonicContact OD2-NH2 2.86Å; D352-R354 PolarHBondContact OD2-NH2 3.17Å
355E97.4Very high92.5Very high118 Ų11862.6 Ų62.655%0.55135%0.349SS*.EExtended strand (participates in β ladder)trans-94.6124.7170.9-55-163.8159.600109.6Y348 R349 I372Y348-E355 CarbonylContact O-C 3.57Å; Y348-E355 VanDerWaalsContact O-CA 3.3Å; Y348-E355 WeakPolarHBondContact O-CA 3.5Å; R349-E355 IonicContact CZ-OE1 3.72Å; R349-E355 IonicContact NE-OE1 3.25Å; R349-E355 IonicContact NH2-OE1 3.93Å; R349-E355 PolarHBondContact NH2-OE1 3.45Å; E355-I372 HydrophobicContact CB-CD1 3.9Å; E355-I372 HydrophobicContact CG-CD1 3.6Å; E355-I372 WeakPolarHBondContact OE1-CD1 3.21Å
356V96.5Very high92.2Very high37 Ų3763.4 Ų63.422%0.22435%0.352CS..EExtended strand (participates in β ladder)trans-127.3143.7-177.6-59.10000111A347 Y348 M350A347-V356 CarbonylContact C-O 3.54Å; A347-V356 WeakPolarHBondContact CA-O 3.45Å; Y348-V356 PolarHBondContact N-O 3Å; Y348-V356 PolarHBondContact O-N 2.85Å; M350-V356 HydrophobicContact CG-CG1 4.08Å; M350-V356 HydrophobicContact CG-CG2 3.91Å; M350-V356 HydrophobicContact SD-CG2 3.63Å
357T95.6Very high91.8Very high81 Ų8170.4 Ų70.450%0.49738%0.38SS..SBendtrans-105.721.5177.8570000112A347A347-T357 HydrophobicContact CB-CG2 4.16Å
358T92.9Very high91.6Very high73 Ų7372.2 Ų72.245%0.44840%0.4SS..SBendtrans-137.1142.1-177.3-59.60000109.2
359T94.4Very high91.5Very high12 Ų1273 Ų737%0.07440%0.404CS..  trans-65142.9179.462.10000111.4V314 A315 R318 Y348 W366V314-T359 HydrophobicContact CG1-CG2 4.21Å; A315-T359 HydrophobicContact CB-CG2 4.32Å; R318-T359 HydrophobicContact CB-CG2 3.91Å; R318-T359 HydrophobicContact CG-CG2 4.41Å; R318-T359 PolarHBondContact NE-OG1 3.24Å; R318-T359 PolarHBondContact NH2-O 2.91Å; R318-T359 PolarHBondContact NH2-OG1 3.1Å; Y348-T359 HydrophobicContact CE2-CG2 4.38Å; T359-W366 HydrophobicContact CG2-CH2 3.85Å; T359-W366 HydrophobicContact CG2-CZ2 4.25Å
360P91Very high91.5Very high18 Ų1873.8 Ų73.812%0.11741%0.412CS..  trans-59.6155.6167.8-15.527.3000111.6M350 D365 W366 V369M350-P360 HydrophobicContact CE-CG 4.08Å; P360-D365 HydrophobicContact CB-CB 3.52Å; P360-D365 HydrophobicContact CG-CB 4.43Å; P360-W366 HydrophobicContact CB-CG 4.47Å; P360-W366 HydrophobicContact CG-CD2 4.14Å; P360-W366 HydrophobicContact CG-CG 4.27Å; P360-W366 PolarHBondContact O-NE1 3.13Å; P360-V369 HydrophobicContact CG-CG2 4.27Å
361L78.4Confident91.6Very high143 Ų14374.2 Ų74.275%0.74942%0.416SS*.SBendtrans-87.3-46.7-177.3-63177.2000112.2
362A78.5Confident91.8Very high47 Ų4771.2 Ų71.239%0.38840%0.395SS..SBendtrans-98.9148-177.200000111.7D364 D365A362-D364 PolarHBondContact O-N 2.81Å; A362-D365 WeakPolarHBondContact O-CB 3.42Å; A362-D365 PolarHBondContact O-N 2.93Å
363A78.8Confident92Very high21 Ų2169.9 Ų69.917%0.17438%0.383CS..G310 helixtrans-51.9-40.8177.500000113.8Y236 Y238 D365 W366Y236-A363 WeakPolarHBondContact O-CB 3.44Å; Y238-A363 HydrophobicContact CE2-CB 4.37Å; A363-D365 PolarHBondContact O-N 2.99Å; A363-W366 WeakPolarHBondContact O-CB 3.24Å; A363-W366 PolarHBondContact O-N 2.63Å; A363-W366 VanDerWaalsContact O-N 3.07Å
364D83.3Confident92.2Very high143 Ų14370.5 Ų70.577%0.76537%0.373SS*.G310 helixtrans-64.4-29.7-177.3-70.7-23.8000112A362 W366 K367A362-D364 PolarHBondContact O-N 2.81Å; D364-W366 PolarHBondContact O-N 2.9Å; D364-K367 WeakPolarHBondContact O-CB 3.48Å; D364-K367 PolarHBondContact O-N 2.8Å; D364-K367 VanDerWaalsContact O-N 3.12Å
365D88.1Confident92.3Very high84 Ų8466.9 Ų66.945%0.44937%0.367SS..G310 helixtrans-72.6-15.4177.6-59.8-29000112.7P360 A362 A363 V369P360-D365 HydrophobicContact CB-CB 3.52Å; P360-D365 HydrophobicContact CG-CB 4.43Å; A362-D365 WeakPolarHBondContact O-CB 3.42Å; A362-D365 PolarHBondContact O-N 2.93Å; A363-D365 PolarHBondContact O-N 2.99Å; D365-V369 VanDerWaalsContact O-CG2 3.31Å; D365-V369 WeakPolarHBondContact O-CG2 3.36Å
366W92.3Very high92.4Very high17 Ų1762.2 Ų62.26%0.06435%0.346CS..G310 helixtrans-77.2-13.8172.5-66.278.2000112.3T235 P278 P280 Y348 T359 P360 A363 D364 G368 V369T235-W366 HydrophobicContact CG2-CH2 4.17Å; T235-W366 HydrophobicContact CG2-CZ2 3.77Å; P278-W366 HydrophobicContact CB-CB 3.4Å; P278-W366 VanDerWaalsContact CB-CB 3.4Å; P278-W366 HydrophobicContact CB-CD2 3.88Å; P278-W366 HydrophobicContact CB-CE3 3.91Å; P278-W366 HydrophobicContact CB-CG 3.69Å; P278-W366 HydrophobicContact CG-CB 3.8Å; P278-W366 HydrophobicContact CG-CD2 3.82Å; P278-W366 HydrophobicContact CG-CE3 4.21Å; P278-W366 HydrophobicContact CG-CG 3.63Å; P280-W366 HydrophobicContact CG-CE3 3.62Å; P280-W366 HydrophobicContact CG-CZ3 3.59Å; Y348-W366 HydrophobicContact CE2-CH2 4.31Å; Y348-W366 AromaticContact CE2-CZ3 3.95Å; Y348-W366 HydrophobicContact CE2-CZ3 3.95Å; T359-W366 HydrophobicContact CG2-CH2 3.85Å; T359-W366 HydrophobicContact CG2-CZ2 4.25Å; P360-W366 HydrophobicContact CB-CG 4.47Å; P360-W366 HydrophobicContact CG-CD2 4.14Å; P360-W366 HydrophobicContact CG-CG 4.27Å; P360-W366 PolarHBondContact O-NE1 3.13Å; A363-W366 WeakPolarHBondContact O-CB 3.24Å; A363-W366 PolarHBondContact O-N 2.63Å; A363-W366 VanDerWaalsContact O-N 3.07Å; D364-W366 PolarHBondContact O-N 2.9Å; W366-G368 PolarHBondContact O-N 3.43Å; W366-V369 WeakPolarHBondContact O-CB 3.5Å; W366-V369 PolarHBondContact O-N 2.98Å
367K90.6Very high92.5Very high174 Ų17465.2 Ų65.276%0.75737%0.366SS*.THydrogen-bonded Turntrans-69.4122.1-177.3-172179.6178.1-177.30110.3P351 D364 V369P351-K367 VanDerWaalsContact CG-O 3.24Å; P351-K367 WeakPolarHBondContact CG-O 3.38Å; D364-K367 WeakPolarHBondContact O-CB 3.48Å; D364-K367 PolarHBondContact O-N 2.8Å; D364-K367 VanDerWaalsContact O-N 3.12Å; K367-V369 VanDerWaalsContact C-N 3.26Å; K367-V369 PolarHBondContact O-N 2.75Å
368G93.2Very high92.6Very high49 Ų4962 Ų6251%0.50535%0.349SS..THydrogen-bonded Turntrans7612.6-179.600000114W366 E370W366-G368 PolarHBondContact O-N 3.43Å; G368-E370 PolarHBondContact O-N 2.69Å
369V96.4Very high92.8Very high15 Ų1558.9 Ų58.99%0.09133%0.329CS..  trans-67.3127.1168.8170.30000109.4P280 Y348 M350 P360 D365 W366 K367P280-V369 HydrophobicContact CB-CG1 4.29Å; P280-V369 HydrophobicContact CG-CG1 4.25Å; Y348-V369 HydrophobicContact CD1-CG1 3.92Å; Y348-V369 HydrophobicContact CD2-CG1 3.9Å; Y348-V369 HydrophobicContact CG-CG1 3.57Å; M350-V369 HydrophobicContact CE-CG2 3.95Å; M350-V369 HydrophobicContact SD-CG2 3.91Å; P360-V369 HydrophobicContact CG-CG2 4.27Å; D365-V369 VanDerWaalsContact O-CG2 3.31Å; D365-V369 WeakPolarHBondContact O-CG2 3.36Å; W366-V369 WeakPolarHBondContact O-CB 3.5Å; W366-V369 PolarHBondContact O-N 2.98Å; K367-V369 VanDerWaalsContact C-N 3.26Å; K367-V369 PolarHBondContact O-N 2.75Å
370E97.6Very high92.8Very high110 Ų11063.3 Ų63.351%0.51436%0.36SS..EExtended strand (participates in β ladder)trans-107.8131.7176.5-65.2176.2-176.100110.4Y348 R349 G368Y348-E370 CarbonylContact C-O 3.58Å; Y348-E370 WeakPolarHBondContact CA-O 3.36Å; R349-E370 HydrophobicContact CB-CB 4.27Å; R349-E370 PolarHBondContact N-O 3.05Å; R349-E370 IonicContact NH1-OE2 3.1Å; R349-E370 PolarHBondContact O-N 2.94Å; G368-E370 PolarHBondContact O-N 2.69Å
371P98.3Very high93Very high32 Ų3267.9 Ų67.921%0.20838%0.38CS..EExtended strand (participates in β ladder)trans-72.5136.5176.631.1-36.4000111.6P280 T281 C345 Y373P280-P371 WeakPolarHBondContact O-CD 3.3Å; P280-P371 VanDerWaalsContact O-CG 3.29Å; P280-P371 WeakPolarHBondContact O-CG 3.47Å; T281-P371 HydrophobicContact CG2-CB 4.09Å; C345-P371 HydrophobicContact CB-CB 4.16Å; P371-Y373 HydrophobicContact CB-CE1 3.9Å; P371-Y373 HydrophobicContact CB-CE2 3.92Å; P371-Y373 HydrophobicContact CG-CD2 4.45Å; P371-Y373 HydrophobicContact CG-CE1 4.26Å; P371-Y373 HydrophobicContact CG-CE2 3.51Å; P371-Y373 WeakPolarHBondContact CG-OH 3.33Å
372I98.7Very high93.8Very high32 Ų3264.3 Ų64.316%0.16437%0.367CS..EExtended strand (participates in β ladder)trans-100.5117.3170.5-59.7163.8000107.7C345 V346 A347 R349 E355C345-I372 WeakPolarHBondContact CA-O 3.31Å; V346-I372 HydrophobicContact CG2-CG2 4.5Å; V346-I372 WeakPolarHBondContact CG2-O 3.42Å; V346-I372 PolarHBondContact N-O 3.49Å; A347-I372 HydrophobicContact CB-CB 4.15Å; A347-I372 HydrophobicContact CB-CD1 3.81Å; A347-I372 WeakPolarHBondContact O-CB 3.31Å; A347-I372 PolarHBondContact O-N 3.2Å; R349-I372 HydrophobicContact CB-CD1 4.07Å; R349-I372 HydrophobicContact CB-CG1 4.18Å; E355-I372 HydrophobicContact CB-CD1 3.9Å; E355-I372 HydrophobicContact CG-CD1 3.6Å; E355-I372 WeakPolarHBondContact OE1-CD1 3.21Å
373Y98.8Very high94.7Very high69 Ų6962 Ų6227%0.27135%0.349SS..EExtended strand (participates in β ladder)trans-99.8136.6-172.9-65.4-64.1000113.2T281 W310 K343 L344 C345 P371T281-Y373 WeakPolarHBondContact CA-OH 3.49Å; T281-Y373 HydrophobicContact CG2-CE1 4.06Å; W310-Y373 HydrophobicContact CB-CE1 3.87Å; W310-Y373 AromaticContact CD1-CE1 3.77Å; W310-Y373 AromaticContact CD1-CZ 3.77Å; W310-Y373 HydrophobicContact CG-CE1 4.13Å; K343-Y373 HydrophobicContact CB-CD1 3.82Å; K343-Y373 HydrophobicContact CB-CE1 4.44Å; K343-Y373 HydrophobicContact CB-CG 4.08Å; K343-Y373 HydrophobicContact CD-CD2 4.26Å; K343-Y373 HydrophobicContact CD-CG 4.12Å; L344-Y373 CarbonylContact O-C 3.6Å; L344-Y373 VanDerWaalsContact O-CA 3.32Å; L344-Y373 WeakPolarHBondContact O-CA 3.23Å; C345-Y373 HydrophobicContact CB-CD1 3.98Å; C345-Y373 HydrophobicContact CB-CE1 3.81Å; P371-Y373 HydrophobicContact CB-CE1 3.9Å; P371-Y373 HydrophobicContact CB-CE2 3.92Å; P371-Y373 HydrophobicContact CG-CD2 4.45Å; P371-Y373 HydrophobicContact CG-CE1 4.26Å; P371-Y373 HydrophobicContact CG-CE2 3.51Å; P371-Y373 WeakPolarHBondContact CG-OH 3.33Å
374E98.7Very high95.5Very high59 Ų5966 Ų6628%0.27636%0.362SS..EExtended strand (participates in β ladder)trans-87.8126.4152.7-172.4174.715300108.2K343 L344 V346 R402K343-E374 WeakPolarHBondContact CA-O 3.43Å; L344-E374 PolarHBondContact N-O 2.83Å; L344-E374 PolarHBondContact O-N 3.44Å; V346-E374 HydrophobicContact CG1-CB 3.87Å; E374-R402 VanDerWaalsContact CD-NE 3.29Å; E374-R402 IonicContact OE1-CZ 3.8Å; E374-R402 IonicContact OE1-NE 3.39Å; E374-R402 PolarHBondContact OE1-NE 3.32Å; E374-R402 IonicContact OE1-NH2 3.8Å; E374-R402 IonicContact OE2-CZ 3Å; E374-R402 VanDerWaalsContact OE2-CZ 3.23Å; E374-R402 IonicContact OE2-NE 2.63Å; E374-R402 PolarHBondContact OE2-NE 3.12Å; E374-R402 IonicContact OE2-NH2 3.22Å; E374-R402 PolarHBondContact OE2-NH2 3.21Å
375T98.7Very high96Very high70 Ų7060.4 Ų60.443%0.42934%0.339SS..EExtended strand (participates in β ladder)trans-99.6130177.8-56.70000109.2E341 K343E341-T375 HydrophobicContact CB-CG2 3.97Å; E341-T375 HydrophobicContact CG-CG2 4.15Å; K343-T375 HydrophobicContact CG-CG2 4.37Å
376M98.7Very high96.3Very high21 Ų2157.6 Ų57.610%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-123.2152.3-178.6-56.5178.571.500110E341 V342 L344 G378 N398 Y399 R402E341-M376 WeakPolarHBondContact CA-O 3.43Å; V342-M376 HydrophobicContact CG2-CB 3.93Å; V342-M376 PolarHBondContact N-O 2.8Å; V342-M376 PolarHBondContact O-N 2.84Å; L344-M376 HydrophobicContact CD1-SD 3.71Å; L344-M376 HydrophobicContact CG-SD 4.39Å; M376-G378 PolarHBondContact O-N 2.98Å; M376-N398 HydrophobicContact CE-CB 4.36Å; M376-Y399 HydrophobicContact SD-CD2 4.01Å; M376-R402 HydrophobicContact CE-CB 3.71Å; M376-R402 HydrophobicContact CE-CG 4.09Å; M376-R402 HydrophobicContact SD-CB 3.97Å; M376-R402 HydrophobicContact SD-CG 3.89Å
377P98.6Very high96.3Very high99 Ų9962.6 Ų62.664%0.64335%0.347SS*.EExtended strand (participates in β ladder)trans-58133.2169.4-20.432.4000110.3
378G98.2Very high96.4Very high14 Ų1458.7 Ų58.714%0.14433%0.334CS..  trans-80.7-162.8165.900000111.3L339 K340 M376 A395L339-G378 CarbonylContact O-C 3.55Å; L339-G378 VanDerWaalsContact O-CA 3.26Å; L339-G378 WeakPolarHBondContact O-CA 3.5Å; K340-G378 PolarHBondContact O-N 3.33Å; M376-G378 PolarHBondContact O-N 2.98Å; G378-A395 WeakPolarHBondContact O-CB 3.36Å
379W98.2Very high96.4Very high8 Ų860.9 Ų60.93%0.0333%0.327CS..  trans-142.4144.8-17748.188.2000111.6L333 L336 D337 G338 L339 V342 E381 P393 A395 A396 Y399L333-W379 HydrophobicContact CD1-CH2 3.9Å; L333-W379 HydrophobicContact CD1-CZ2 3.72Å; L333-W379 HydrophobicContact CG-CZ2 4.24Å; L336-W379 HydrophobicContact CB-CH2 4.14Å; L336-W379 HydrophobicContact CB-CZ2 3.71Å; L336-W379 HydrophobicContact CD1-CH2 4.14Å; L336-W379 HydrophobicContact CD1-CZ2 4.42Å; D337-W379 PolarHBondContact OD1-NE1 2.92Å; G338-W379 WeakPolarHBondContact CA-O 3.43Å; G338-W379 PolarHBondContact N-O 2.65Å; L339-W379 PolarHBondContact O-N 2.91Å; V342-W379 HydrophobicContact CG1-CZ3 4.46Å; V342-W379 HydrophobicContact CG2-CZ3 4.31Å; W379-E381 VanDerWaalsContact CD1-O 3.23Å; W379-P393 HydrophobicContact CB-CB 4.07Å; W379-P393 HydrophobicContact CB-CG 4.41Å; W379-P393 HydrophobicContact CG-CB 4.44Å; W379-P393 HydrophobicContact CG-CG 4.46Å; W379-A395 HydrophobicContact CB-CB 4.25Å; W379-A395 HydrophobicContact CE3-CB 3.94Å; W379-A396 HydrophobicContact CD2-CB 3.83Å; W379-A396 HydrophobicContact CE3-CB 3.95Å; W379-A396 HydrophobicContact CG-CB 4.46Å; W379-A396 HydrophobicContact CH2-CB 4.05Å; W379-A396 HydrophobicContact CZ2-CB 3.93Å; W379-A396 HydrophobicContact CZ3-CB 4.07Å; W379-Y399 HydrophobicContact CH2-CD1 4.14Å; W379-Y399 HydrophobicContact CH2-CG 4.09Å; W379-Y399 HydrophobicContact CZ3-CG 4.22Å
380S94.8Very high96.3Very high104 Ų10465.2 Ų65.273%0.72736%0.358SS*.SBendtrans-91.8-29177.244.30000112.9
381E94.9Very high96.2Very high114 Ų11462.2 Ų62.253%0.53336%0.357SS..SBendtrans-74.5137.3179.3-59.594.7132.500110.2W379 T383 P393W379-E381 VanDerWaalsContact CD1-O 3.23Å; E381-T383 PolarHBondContact O-N 3.27Å; E381-P393 HydrophobicContact CB-CB 4.37Å; E381-P393 HydrophobicContact CB-CG 3.71Å
382S95Very high96.1Very high68 Ų6861.1 Ų61.148%0.47635%0.349SS..  trans-70.4127.9-177.3-172.90000111.2D337 F384D337-S382 VanDerWaalsContact OD2-CA 3.3Å; D337-S382 WeakPolarHBondContact OD2-CA 3.41Å; D337-S382 PolarHBondContact OD2-OG 2.71Å; S382-F384 VanDerWaalsContact C-N 3.34Å; S382-F384 VanDerWaalsContact OG-CB 3.24Å; S382-F384 WeakPolarHBondContact OG-CB 3.46Å; S382-F384 PolarHBondContact OG-N 2.92Å
383T97Very high96.1Very high0 Ų060.3 Ų60.30%035%0.346CS..  trans-81.6-19.9161.864.50000111.2L333 D334 D337 E381 G385 V386 L392 P393 A396 T416L333-T383 HydrophobicContact CD2-CG2 4.21Å; L333-T383 HydrophobicContact CG-CG2 4.28Å; D334-T383 WeakPolarHBondContact CA-OG1 3.47Å; D334-T383 PolarHBondContact N-OG1 3.02Å; D337-T383 VanDerWaalsContact CG-N 3.31Å; D337-T383 WeakPolarHBondContact OD1-CB 3.45Å; D337-T383 WeakPolarHBondContact OD1-CG2 3.32Å; D337-T383 PolarHBondContact OD1-N 2.69Å; D337-T383 PolarHBondContact OD1-OG1 2.94Å; D337-T383 PolarHBondContact OD2-N 2.9Å; D337-T383 PolarHBondContact OD2-OG1 3.26Å; E381-T383 PolarHBondContact O-N 3.27Å; T383-G385 PolarHBondContact O-N 2.97Å; T383-V386 VanDerWaalsContact O-CB 3.31Å; T383-V386 WeakPolarHBondContact O-CB 3.34Å; T383-V386 VanDerWaalsContact O-CG2 3.29Å; T383-V386 WeakPolarHBondContact O-CG2 3.46Å; T383-V386 PolarHBondContact O-N 3.18Å; T383-V386 VanDerWaalsContact O-N 3.07Å; T383-L392 HydrophobicContact CG2-CD2 3.76Å; T383-P393 HydrophobicContact CG2-CG 4.22Å; T383-A396 HydrophobicContact CG2-CB 3.89Å; T383-T416 VanDerWaalsContact O-CB 3.23Å; T383-T416 WeakPolarHBondContact O-CB 3.46Å; T383-T416 WeakPolarHBondContact O-CG2 3.3Å
384F95.9Very high96.1Very high103 Ų10363 Ų6345%0.45236%0.361SS..THydrogen-bonded Turntrans-50.5126.4178.8-170-92.3000112.8D334 D337 S382 V386 T416 E422D334-F384 HydrophobicContact CB-CB 3.95Å; D334-F384 HydrophobicContact CB-CD2 3.89Å; D334-F384 HydrophobicContact CB-CG 4.43Å; D337-F384 PolarHBondContact OD2-N 3.36Å; S382-F384 VanDerWaalsContact C-N 3.34Å; S382-F384 VanDerWaalsContact OG-CB 3.24Å; S382-F384 WeakPolarHBondContact OG-CB 3.46Å; S382-F384 PolarHBondContact OG-N 2.92Å; F384-V386 PolarHBondContact O-N 3.4Å; F384-T416 VanDerWaalsContact CA-O 3.28Å; F384-T416 WeakPolarHBondContact CA-O 3.35Å; F384-E422 WeakPolarHBondContact CE1-OE1 3.3Å; F384-E422 WeakPolarHBondContact CZ-OE1 3.29Å
385G92.4Very high96Very high27 Ų2761.2 Ų61.228%0.27836%0.356SS..THydrogen-bonded Turntrans75.4-0.6177.300000115.8T383 K387 T416T383-G385 PolarHBondContact O-N 2.97Å; G385-K387 WeakPolarHBondContact O-CG 3.23Å; G385-K387 PolarHBondContact O-N 3.36Å; G385-T416 PolarHBondContact N-O 3.27Å
386V94.5Very high96Very high24 Ų2457.9 Ų57.915%0.14534%0.336CS..  trans-66130174.8174.90000109.8T383 F384 D388 L392 T416 M424T383-V386 VanDerWaalsContact O-CB 3.31Å; T383-V386 WeakPolarHBondContact O-CB 3.34Å; T383-V386 VanDerWaalsContact O-CG2 3.29Å; T383-V386 WeakPolarHBondContact O-CG2 3.46Å; T383-V386 PolarHBondContact O-N 3.18Å; T383-V386 VanDerWaalsContact O-N 3.07Å; F384-V386 PolarHBondContact O-N 3.4Å; V386-D388 WeakPolarHBondContact CG1-O 3.23Å; V386-L392 HydrophobicContact CB-CD2 4.17Å; V386-L392 HydrophobicContact CG1-CD2 3.99Å; V386-L392 HydrophobicContact CG1-CG 4.11Å; V386-T416 HydrophobicContact CB-CG2 4.47Å; V386-T416 PolarHBondContact O-OG1 3.16Å; V386-M424 HydrophobicContact CG1-CE 4.47Å; V386-M424 HydrophobicContact CG1-SD 4.46Å
387K92.7Very high96Very high122 Ų12258.3 Ų58.353%0.5334%0.338SS..  trans-116.60.6-176.1-56.7-173.2178.2-174.30114.3G385 T421 M424G385-K387 WeakPolarHBondContact O-CG 3.23Å; G385-K387 PolarHBondContact O-N 3.36Å; K387-T421 WeakPolarHBondContact CD-O 3.23Å; K387-T421 WeakPolarHBondContact CE-O 3.31Å; K387-T421 PolarHBondContact NZ-OG1 3.24Å; K387-M424 VanDerWaalsContact C-CG 3.42Å; K387-M424 WeakPolarHBondContact O-CG 3.16Å
388D92.5Very high96Very high93 Ų9357.1 Ų57.150%0.49733%0.327SS..SBendtrans-134.3137.6176.5-173.4-82.5000110.1V386 S390 G391V386-D388 WeakPolarHBondContact CG1-O 3.23Å; D388-S390 PolarHBondContact O-N 3.46Å; D388-S390 VanDerWaalsContact OD1-CB 3.24Å; D388-S390 WeakPolarHBondContact OD1-CB 3.46Å; D388-S390 PolarHBondContact OD1-N 3.42Å; D388-S390 PolarHBondContact OD1-OG 2.84Å; D388-G391 PolarHBondContact O-N 3.41Å
389R93.8Very high96Very high94 Ų9456.5 Ų56.536%0.35532%0.32SS..G310 helixtrans-59.7-32-175.6-175.9174.9176.8147.12.4112.3G391 L392 L397 M424 L426R389-G391 PolarHBondContact O-N 3.29Å; R389-L392 PolarHBondContact O-N 3.43Å; R389-L397 HydrophobicContact CG-CD2 3.85Å; R389-M424 PolarHBondContact N-SD 3.37Å; R389-M424 VanDerWaalsContact N-SD 3.44Å; R389-L426 HydrophobicContact CB-CD2 4.12Å; R389-L426 VanDerWaalsContact NH1-CD1 3.31Å
390S94.3Very high96Very high106 Ų10656.1 Ų56.174%0.74132%0.318SS*.G310 helixtrans-70.3-17.4177.569.60000113.5D388 L392D388-S390 PolarHBondContact O-N 3.46Å; D388-S390 VanDerWaalsContact OD1-CB 3.24Å; D388-S390 WeakPolarHBondContact OD1-CB 3.46Å; D388-S390 PolarHBondContact OD1-N 3.42Å; D388-S390 PolarHBondContact OD1-OG 2.84Å; S390-L392 VanDerWaalsContact C-N 3.35Å
391G95.1Very high96.2Very high47 Ų4756.5 Ų56.549%0.48531%0.307SS..G310 helixtrans-82.9-7.5174.900000114.3D388 R389D388-G391 PolarHBondContact O-N 3.41Å; R389-G391 PolarHBondContact O-N 3.29Å
392L97.5Very high96.4Very high9 Ų954.1 Ų54.15%0.04729%0.293CS..SBendtrans-77.6141.9178.5-70.7173.7000111.3L333 T383 V386 R389 S390 L397 I400 I414 T416 M424L333-L392 HydrophobicContact CD2-CD2 4.24Å; T383-L392 HydrophobicContact CG2-CD2 3.76Å; V386-L392 HydrophobicContact CB-CD2 4.17Å; V386-L392 HydrophobicContact CG1-CD2 3.99Å; V386-L392 HydrophobicContact CG1-CG 4.11Å; R389-L392 PolarHBondContact O-N 3.43Å; S390-L392 VanDerWaalsContact C-N 3.35Å; L392-L397 HydrophobicContact CB-CD2 3.95Å; L392-L397 HydrophobicContact CB-CG 3.92Å; L392-L397 HydrophobicContact CD1-CD2 3.95Å; L392-I400 HydrophobicContact CD1-CD1 3.9Å; L392-I414 HydrophobicContact CD1-CD1 4.21Å; L392-T416 HydrophobicContact CD2-CG2 4.18Å; L392-M424 HydrophobicContact CD1-CE 4.11Å; L392-M424 HydrophobicContact CD1-SD 4.5Å; L392-M424 HydrophobicContact CD2-CE 4.3Å; L392-M424 HydrophobicContact CG-CE 4.34Å
393P97.7Very high96.6Very high15 Ų1550.9 Ų50.910%0.09727%0.271CS..  trans-59.1145.7173.5-21.434000111.3W379 E381 T383 A395 A396 L397W379-P393 HydrophobicContact CB-CB 4.07Å; W379-P393 HydrophobicContact CB-CG 4.41Å; W379-P393 HydrophobicContact CG-CB 4.44Å; W379-P393 HydrophobicContact CG-CG 4.46Å; E381-P393 HydrophobicContact CB-CB 4.37Å; E381-P393 HydrophobicContact CB-CG 3.71Å; T383-P393 HydrophobicContact CG2-CG 4.22Å; P393-A395 PolarHBondContact O-N 3.48Å; P393-A396 HydrophobicContact CB-CB 4.41Å; P393-A396 WeakPolarHBondContact O-CB 3.3Å; P393-A396 PolarHBondContact O-N 2.67Å; P393-L397 PolarHBondContact O-N 3.37Å
394Q98Very high96.7Very high126 Ų12652.8 Ų52.859%0.58928%0.28SS*.Hα-helixtrans-58.9-35.3-177.2-17360.359.600112.7L397 N398Q394-L397 PolarHBondContact O-N 2.89Å; Q394-N398 PolarHBondContact NE2-OD1 3.49Å; Q394-N398 WeakPolarHBondContact O-CB 3.41Å; Q394-N398 PolarHBondContact O-N 3.16Å; Q394-N398 PolarHBondContact O-ND2 2.86Å; Q394-N398 PolarHBondContact O-OD1 3.26Å
395A98.4Very high96.8Very high22 Ų2252.9 Ų52.918%0.18228%0.281CS..Hα-helixtrans-66.4-37.3176.100000112.4G378 W379 P393 N398 Y399G378-A395 WeakPolarHBondContact O-CB 3.36Å; W379-A395 HydrophobicContact CB-CB 4.25Å; W379-A395 HydrophobicContact CE3-CB 3.94Å; P393-A395 PolarHBondContact O-N 3.48Å; A395-N398 PolarHBondContact O-N 2.88Å; A395-Y399 PolarHBondContact O-N 2.98Å
396A98.4Very high97.1Very high0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-67-41173.800000111.7L333 W379 T383 P393 N398 Y399 I400L333-A396 HydrophobicContact CD2-CB 4.48Å; W379-A396 HydrophobicContact CD2-CB 3.83Å; W379-A396 HydrophobicContact CE3-CB 3.95Å; W379-A396 HydrophobicContact CG-CB 4.46Å; W379-A396 HydrophobicContact CH2-CB 4.05Å; W379-A396 HydrophobicContact CZ2-CB 3.93Å; W379-A396 HydrophobicContact CZ3-CB 4.07Å; T383-A396 HydrophobicContact CG2-CB 3.89Å; P393-A396 HydrophobicContact CB-CB 4.41Å; P393-A396 WeakPolarHBondContact O-CB 3.3Å; P393-A396 PolarHBondContact O-N 2.67Å; A396-N398 VanDerWaalsContact C-N 3.32Å; A396-N398 PolarHBondContact O-N 3.16Å; A396-Y399 WeakPolarHBondContact O-CB 3.44Å; A396-Y399 PolarHBondContact O-N 3.5Å; A396-I400 WeakPolarHBondContact O-CG1 3.49Å; A396-I400 PolarHBondContact O-N 3.23Å
397L98.3Very high97.2Very high29 Ų2951.7 Ų51.715%0.15227%0.268CS..Hα-helixtrans-61.5-40172.9-70.8173.1000112R389 L392 P393 Q394 I400 K401R389-L397 HydrophobicContact CG-CD2 3.85Å; L392-L397 HydrophobicContact CB-CD2 3.95Å; L392-L397 HydrophobicContact CB-CG 3.92Å; L392-L397 HydrophobicContact CD1-CD2 3.95Å; P393-L397 PolarHBondContact O-N 3.37Å; Q394-L397 PolarHBondContact O-N 2.89Å; L397-I400 PolarHBondContact O-N 3.41Å; L397-K401 WeakPolarHBondContact O-CB 2.99Å; L397-K401 PolarHBondContact O-N 3.04Å
398N98.5Very high97.5Very high75 Ų7549 Ų4940%0.40128%0.276SS..Hα-helixtrans-66-39.2175.5-66.1-13.3000111.4M376 Q394 A395 A396 K401 R402M376-N398 HydrophobicContact CE-CB 4.36Å; Q394-N398 PolarHBondContact NE2-OD1 3.49Å; Q394-N398 WeakPolarHBondContact O-CB 3.41Å; Q394-N398 PolarHBondContact O-N 3.16Å; Q394-N398 PolarHBondContact O-ND2 2.86Å; Q394-N398 PolarHBondContact O-OD1 3.26Å; A395-N398 PolarHBondContact O-N 2.88Å; A396-N398 VanDerWaalsContact C-N 3.32Å; A396-N398 PolarHBondContact O-N 3.16Å; N398-K401 PolarHBondContact O-N 3.23Å; N398-R402 VanDerWaalsContact O-CB 3.3Å; N398-R402 WeakPolarHBondContact O-CB 3.46Å; N398-R402 PolarHBondContact O-N 3.44Å
399Y98.7Very high97.8Very high0 Ų045.1 Ų45.10%026%0.255CS..Hα-helixtrans-60.5-49.1174.8-175.7-103.5000111.9A269 L311 L333 L336 V342 L344 M376 W379 A395 A396 K401 R402 I403A269-Y399 HydrophobicContact CB-CE1 4.35Å; A269-Y399 PolarHBondContact O-OH 3.4Å; L311-Y399 WeakPolarHBondContact CB-OH 3.42Å; L333-Y399 HydrophobicContact CD1-CD1 4.15Å; L336-Y399 HydrophobicContact CD1-CD1 4.41Å; L336-Y399 HydrophobicContact CD1-CE1 3.74Å; V342-Y399 HydrophobicContact CB-CD2 4.47Å; V342-Y399 HydrophobicContact CB-CE2 4.28Å; V342-Y399 HydrophobicContact CG2-CD2 3.6Å; V342-Y399 HydrophobicContact CG2-CE2 3.86Å; V342-Y399 HydrophobicContact CG2-CG 4.5Å; L344-Y399 HydrophobicContact CD1-CD2 4.34Å; L344-Y399 HydrophobicContact CD1-CE2 4.12Å; L344-Y399 HydrophobicContact CD2-CD2 4.44Å; L344-Y399 HydrophobicContact CD2-CE2 3.48Å; L344-Y399 VanDerWaalsContact CD2-CE2 3.48Å; L344-Y399 WeakPolarHBondContact CD2-OH 3.32Å; L344-Y399 HydrophobicContact CG-CD2 4.38Å; L344-Y399 HydrophobicContact CG-CE2 3.73Å; M376-Y399 HydrophobicContact SD-CD2 4.01Å; W379-Y399 HydrophobicContact CH2-CD1 4.14Å; W379-Y399 HydrophobicContact CH2-CG 4.09Å; W379-Y399 HydrophobicContact CZ3-CG 4.22Å; A395-Y399 PolarHBondContact O-N 2.98Å; A396-Y399 WeakPolarHBondContact O-CB 3.44Å; A396-Y399 PolarHBondContact O-N 3.5Å; Y399-K401 PolarHBondContact O-N 2.92Å; Y399-R402 PolarHBondContact O-N 2.86Å; Y399-I403 HydrophobicContact CD1-CD1 3.83Å; Y399-I403 HydrophobicContact CE1-CD1 3.5Å; Y399-I403 VanDerWaalsContact CE1-CD1 3.5Å; Y399-I403 WeakPolarHBondContact O-CG1 3.38Å; Y399-I403 PolarHBondContact O-N 3.22Å
400I98.5Very high98Very high0 Ų043.2 Ų43.20%026%0.255CS..Hα-helixtrans-55.1-53.9173.7-73.1157.6000110.4L330 L333 L392 A396 L397 R402 I403 E404 I411 I414L330-I400 HydrophobicContact CD2-CG1 3.64Å; L333-I400 HydrophobicContact CD2-CD1 3.89Å; L333-I400 HydrophobicContact CD2-CG1 4.5Å; L392-I400 HydrophobicContact CD1-CD1 3.9Å; A396-I400 WeakPolarHBondContact O-CG1 3.49Å; A396-I400 PolarHBondContact O-N 3.23Å; L397-I400 PolarHBondContact O-N 3.41Å; I400-R402 PolarHBondContact O-N 2.84Å; I400-I403 WeakPolarHBondContact O-CB 3.5Å; I400-I403 PolarHBondContact O-N 3.07Å; I400-I403 VanDerWaalsContact O-N 3.11Å; I400-E404 PolarHBondContact O-N 2.94Å; I400-E404 VanDerWaalsContact O-N 3.1Å; I400-I411 HydrophobicContact CB-CD1 4.34Å; I400-I411 HydrophobicContact CG2-CB 4.29Å; I400-I411 HydrophobicContact CG2-CD1 3.72Å; I400-I414 HydrophobicContact CD1-CD1 3.76Å; I400-I414 HydrophobicContact CD1-CG1 4.46Å
401K98.6Very high98.2Very high113 Ų11338.2 Ų38.249%0.49122%0.22SC..Hα-helixtrans-58.2-39.4-179.6-171.8-174.7178.8-163.80111.7L397 N398 Y399 I403 E404 E405L397-K401 WeakPolarHBondContact O-CB 2.99Å; L397-K401 PolarHBondContact O-N 3.04Å; N398-K401 PolarHBondContact O-N 3.23Å; Y399-K401 PolarHBondContact O-N 2.92Å; K401-I403 VanDerWaalsContact C-N 3.34Å; K401-I403 PolarHBondContact O-N 2.76Å; K401-E404 WeakPolarHBondContact O-CB 3.33Å; K401-E404 PolarHBondContact O-N 2.79Å; K401-E405 WeakPolarHBondContact CE-OE1 3.37Å; K401-E405 IonicContact NZ-OE1 3.69Å; K401-E405 WeakPolarHBondContact O-CG 3.21Å; K401-E405 PolarHBondContact O-N 3.16Å
402R98.7Very high98.3Very high64 Ų6436.5 Ų36.524%0.24220%0.2CC..Hα-helixtrans-67.4-36.3-179.8-171.457178.5155.14.2112.2L344 E374 M376 N398 Y399 I400 E405 L406L344-R402 HydrophobicContact CD1-CB 4.11Å; L344-R402 HydrophobicContact CD1-CG 3.69Å; E374-R402 VanDerWaalsContact CD-NE 3.29Å; E374-R402 IonicContact OE1-CZ 3.8Å; E374-R402 IonicContact OE1-NE 3.39Å; E374-R402 PolarHBondContact OE1-NE 3.32Å; E374-R402 IonicContact OE1-NH2 3.8Å; E374-R402 IonicContact OE2-CZ 3Å; E374-R402 VanDerWaalsContact OE2-CZ 3.23Å; E374-R402 IonicContact OE2-NE 2.63Å; E374-R402 PolarHBondContact OE2-NE 3.12Å; E374-R402 IonicContact OE2-NH2 3.22Å; E374-R402 PolarHBondContact OE2-NH2 3.21Å; M376-R402 HydrophobicContact CE-CB 3.71Å; M376-R402 HydrophobicContact CE-CG 4.09Å; M376-R402 HydrophobicContact SD-CB 3.97Å; M376-R402 HydrophobicContact SD-CG 3.89Å; N398-R402 VanDerWaalsContact O-CB 3.3Å; N398-R402 WeakPolarHBondContact O-CB 3.46Å; N398-R402 PolarHBondContact O-N 3.44Å; Y399-R402 PolarHBondContact O-N 2.86Å; I400-R402 PolarHBondContact O-N 2.84Å; R402-E405 WeakPolarHBondContact CD-OE2 2.95Å; R402-E405 IonicContact CZ-OE2 3.73Å; R402-E405 IonicContact NH1-OE2 2.74Å; R402-E405 PolarHBondContact NH1-OE2 2.81Å; R402-E405 PolarHBondContact O-N 3.05Å; R402-L406 HydrophobicContact CG-CD1 3.95Å; R402-L406 HydrophobicContact CG-CG 4.37Å; R402-L406 WeakPolarHBondContact O-CB 3.33Å; R402-L406 WeakPolarHBondContact O-CD1 3.32Å; R402-L406 WeakPolarHBondContact O-CG 3.38Å; R402-L406 PolarHBondContact O-N 2.85Å
403I98.7Very high98.3Very high0 Ų036.1 Ų36.10%020%0.197CC..Hα-helixtrans-61.5-47.4171.8-66165.1000110.2L267 L311 L330 L344 Y399 I400 K401 E405 L406 T407 I411L267-I403 HydrophobicContact CD2-CG2 3.75Å; L311-I403 HydrophobicContact CD2-CD1 3.47Å; L311-I403 VanDerWaalsContact CD2-CD1 3.47Å; L311-I403 HydrophobicContact CD2-CG1 3.74Å; L330-I403 HydrophobicContact CD1-CD1 4.09Å; L330-I403 HydrophobicContact CD2-CD1 4.39Å; L344-I403 HydrophobicContact CD1-CG1 4.4Å; L344-I403 HydrophobicContact CD2-CG1 4.2Å; Y399-I403 HydrophobicContact CD1-CD1 3.83Å; Y399-I403 HydrophobicContact CE1-CD1 3.5Å; Y399-I403 VanDerWaalsContact CE1-CD1 3.5Å; Y399-I403 WeakPolarHBondContact O-CG1 3.38Å; Y399-I403 PolarHBondContact O-N 3.22Å; I400-I403 WeakPolarHBondContact O-CB 3.5Å; I400-I403 PolarHBondContact O-N 3.07Å; I400-I403 VanDerWaalsContact O-N 3.11Å; K401-I403 VanDerWaalsContact C-N 3.34Å; K401-I403 PolarHBondContact O-N 2.76Å; I403-E405 PolarHBondContact O-N 2.8Å; I403-L406 PolarHBondContact O-N 2.87Å; I403-T407 HydrophobicContact CG2-CG2 4.26Å; I403-T407 WeakPolarHBondContact O-CB 3.34Å; I403-T407 WeakPolarHBondContact O-CG2 3.36Å; I403-T407 PolarHBondContact O-N 3.29Å; I403-T407 PolarHBondContact O-OG1 3.23Å; I403-I411 HydrophobicContact CB-CD1 4.16Å; I403-I411 HydrophobicContact CG2-CD1 4.08Å
404E98.7Very high98.3Very high40 Ų4035.4 Ų35.419%0.18719%0.193CC..Hα-helixtrans-58.4-46.6177.3-62.4176.4129.800111.2I400 K401 L406 T407 G408 I411I400-E404 PolarHBondContact O-N 2.94Å; I400-E404 VanDerWaalsContact O-N 3.1Å; K401-E404 WeakPolarHBondContact O-CB 3.33Å; K401-E404 PolarHBondContact O-N 2.79Å; E404-L406 PolarHBondContact O-N 3.24Å; E404-T407 PolarHBondContact O-N 3.45Å; E404-G408 WeakPolarHBondContact O-CA 3.41Å; E404-G408 PolarHBondContact O-N 3.31Å; E404-I411 HydrophobicContact CG-CB 4.23Å; E404-I411 HydrophobicContact CG-CD1 3.98Å; E404-I411 HydrophobicContact CG-CG1 3.89Å; E404-I411 PolarHBondContact OE1-N 3.38Å
405E98.6Very high98.2Very high104 Ų10429.6 Ų29.649%0.48617%0.166SC..Hα-helixtrans-61.7-43.2177.1-73.3173.1-17600112.7K401 R402 I403K401-E405 WeakPolarHBondContact CE-OE1 3.37Å; K401-E405 IonicContact NZ-OE1 3.69Å; K401-E405 WeakPolarHBondContact O-CG 3.21Å; K401-E405 PolarHBondContact O-N 3.16Å; R402-E405 WeakPolarHBondContact CD-OE2 2.95Å; R402-E405 IonicContact CZ-OE2 3.73Å; R402-E405 IonicContact NH1-OE2 2.74Å; R402-E405 PolarHBondContact NH1-OE2 2.81Å; R402-E405 PolarHBondContact O-N 3.05Å; I403-E405 PolarHBondContact O-N 2.8Å
406L98.3Very high98.1Very high14 Ų1428.5 Ų28.57%0.07316%0.157CC..Hα-helixtrans-70.6-37-178.5-73.6168.1000111.3T313 R317 L344 V346 R402 I403 E404T313-L406 HydrophobicContact CG2-CB 4.46Å; T313-L406 HydrophobicContact CG2-CD1 3.9Å; R317-L406 PolarHBondContact NE-O 2.86Å; R317-L406 VanDerWaalsContact NH2-CD2 3.25Å; R317-L406 PolarHBondContact NH2-O 2.93Å; L344-L406 HydrophobicContact CB-CD1 4.39Å; L344-L406 HydrophobicContact CD1-CD1 3.84Å; V346-L406 HydrophobicContact CB-CD2 4.38Å; V346-L406 HydrophobicContact CG1-CD1 3.76Å; V346-L406 HydrophobicContact CG1-CD2 3.85Å; R402-L406 HydrophobicContact CG-CD1 3.95Å; R402-L406 HydrophobicContact CG-CG 4.37Å; R402-L406 WeakPolarHBondContact O-CB 3.33Å; R402-L406 WeakPolarHBondContact O-CD1 3.32Å; R402-L406 WeakPolarHBondContact O-CG 3.38Å; R402-L406 PolarHBondContact O-N 2.85Å; I403-L406 PolarHBondContact O-N 2.87Å; E404-L406 PolarHBondContact O-N 3.24Å
407T98.1Very high97.7Very high12 Ų1228.8 Ų28.87%0.07416%0.16CC..Hα-helixtrans-95.2-21-17358.80000113.7V316 F328 I403 E404 V409V316-T407 HydrophobicContact CB-CG2 4.4Å; V316-T407 HydrophobicContact CG1-CG2 3.72Å; F328-T407 HydrophobicContact CE2-CG2 4.25Å; F328-T407 WeakPolarHBondContact CE2-OG1 3.37Å; F328-T407 HydrophobicContact CZ-CG2 4.35Å; I403-T407 HydrophobicContact CG2-CG2 4.26Å; I403-T407 WeakPolarHBondContact O-CB 3.34Å; I403-T407 WeakPolarHBondContact O-CG2 3.36Å; I403-T407 PolarHBondContact O-N 3.29Å; I403-T407 PolarHBondContact O-OG1 3.23Å; E404-T407 PolarHBondContact O-N 3.45Å; T407-V409 VanDerWaalsContact C-N 3.28Å
408G98.2Very high97.1Very high67 Ų6731.6 Ų31.669%0.69118%0.18SC*.SBendtrans74.313.3-176.400000114.3E404E404-G408 WeakPolarHBondContact O-CA 3.41Å; E404-G408 PolarHBondContact O-N 3.31Å
409V98.6Very high96.4Very high10 Ų1030.3 Ų30.36%0.06117%0.173CC..  trans-127.3134.5-176171.70000109.3V320 L325 G327 F328 T407V320-V409 HydrophobicContact CB-CG2 4.39Å; V320-V409 HydrophobicContact CG1-CG2 3.53Å; V320-V409 HydrophobicContact CG2-CB 4.5Å; V320-V409 HydrophobicContact CG2-CG2 3.9Å; L325-V409 HydrophobicContact CB-CG1 4.24Å; L325-V409 HydrophobicContact CB-CG2 4.45Å; G327-V409 VanDerWaalsContact CA-CG1 3.48Å; F328-V409 HydrophobicContact CD2-CB 3.95Å; F328-V409 HydrophobicContact CD2-CG1 3.61Å; F328-V409 HydrophobicContact CE2-CB 3.48Å; F328-V409 VanDerWaalsContact CE2-CB 3.48Å; F328-V409 HydrophobicContact CE2-CG1 3.58Å; F328-V409 HydrophobicContact CE2-CG2 4.49Å; F328-V409 HydrophobicContact CG-CG1 4.24Å; F328-V409 HydrophobicContact CZ-CB 4.14Å; F328-V409 HydrophobicContact CZ-CG1 4.16Å; T407-V409 VanDerWaalsContact C-N 3.28Å
410P98.4Very high95.6Very high54 Ų5432.9 Ų32.935%0.35118%0.183SC..  trans-71.2153.8-177.330.2-36.3000112.3G327 F328G327-P410 CarbonylContact C-O 3.54Å; G327-P410 WeakPolarHBondContact CA-O 3.34Å; F328-P410 PolarHBondContact N-O 3.04Å
411I98.5Very high95Very high2 Ų236.6 Ų36.61%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-9499.7167.8-68.6167.5000107.6F328 L330 I400 I403 E404 I413 I414 L426F328-I411 HydrophobicContact CB-CG1 3.93Å; F328-I411 HydrophobicContact CD2-CG1 4.28Å; L330-I411 HydrophobicContact CB-CD1 4.24Å; L330-I411 HydrophobicContact CB-CG2 3.86Å; L330-I411 HydrophobicContact CD2-CD1 4.2Å; I400-I411 HydrophobicContact CB-CD1 4.34Å; I400-I411 HydrophobicContact CG2-CB 4.29Å; I400-I411 HydrophobicContact CG2-CD1 3.72Å; I403-I411 HydrophobicContact CB-CD1 4.16Å; I403-I411 HydrophobicContact CG2-CD1 4.08Å; E404-I411 HydrophobicContact CG-CB 4.23Å; E404-I411 HydrophobicContact CG-CD1 3.98Å; E404-I411 HydrophobicContact CG-CG1 3.89Å; E404-I411 PolarHBondContact OE1-N 3.38Å; I411-I413 WeakPolarHBondContact CG2-O 3.16Å; I411-I414 HydrophobicContact CG2-CD1 4.42Å; I411-I414 HydrophobicContact CG2-CG1 3.61Å; I411-L426 VanDerWaalsContact O-CD1 3.3Å; I411-L426 WeakPolarHBondContact O-CD1 3.46Å
412D97.8Very high94.6Very high11 Ų1132.3 Ų32.36%0.05919%0.187CC..EExtended strand (participates in β ladder)trans-84.9-20.5-177.3-80.3-1.6000112Y262 F328 L426 R427Y262-D412 PolarHBondContact OH-OD2 2.71Å; F328-D412 PolarHBondContact O-N 2.89Å; D412-L426 WeakPolarHBondContact O-CA 3.35Å; D412-L426 VanDerWaalsContact O-CB 3.31Å; D412-L426 WeakPolarHBondContact O-CB 3.24Å; D412-L426 PolarHBondContact O-N 3.44Å; D412-R427 HydrophobicContact CB-CB 4.1Å; D412-R427 PolarHBondContact O-N 2.94Å; D412-R427 VanDerWaalsContact O-N 3.13Å; D412-R427 IonicContact OD2-NH1 3.44Å; D412-R427 PolarHBondContact OD2-NH1 2.71Å
413I97.5Very high94.3Very high0 Ų030.1 Ų30.10%018%0.181CC..EExtended strand (participates in β ladder)trans-137.1137.6178-54.2177.9000110.2I20 L24 L264 F328 C329 L330 I411 T423 M424 P429I20-I413 HydrophobicContact CG2-CD1 4.48Å; L24-I413 HydrophobicContact CD1-CD1 4.48Å; L24-I413 HydrophobicContact CD2-CD1 4.28Å; L264-I413 HydrophobicContact CD2-CD1 4.02Å; F328-I413 PolarHBondContact O-N 2.75Å; F328-I413 VanDerWaalsContact O-N 3.12Å; C329-I413 CarbonylContact C-O 3.58Å; C329-I413 VanDerWaalsContact CA-O 3.24Å; C329-I413 WeakPolarHBondContact CA-O 3.21Å; C329-I413 HydrophobicContact CB-CB 3.87Å; C329-I413 HydrophobicContact CB-CG2 4.31Å; C329-I413 VanDerWaalsContact SG-CG2 3.5Å; L330-I413 PolarHBondContact N-O 2.9Å; I411-I413 WeakPolarHBondContact CG2-O 3.16Å; I413-T423 HydrophobicContact CG2-CG2 3.4Å; I413-T423 VanDerWaalsContact CG2-CG2 3.4Å; I413-M424 CarbonylContact C-O 3.55Å; I413-M424 VanDerWaalsContact CA-O 3.31Å; I413-M424 WeakPolarHBondContact CA-O 3.44Å; I413-P429 HydrophobicContact CD1-CG 4.13Å
414I97.6Very high94.1Very high0 Ų030.5 Ų30.50%018%0.183CC..EExtended strand (participates in β ladder)trans-124.6127174.8-57.2163.4000109.2L330 L333 L392 I400 I411 T416 T423 M424 L426L330-I414 CarbonylContact O-C 3.21Å; L333-I414 HydrophobicContact CD2-CG2 4.11Å; L392-I414 HydrophobicContact CD1-CD1 4.21Å; I400-I414 HydrophobicContact CD1-CD1 3.76Å; I400-I414 HydrophobicContact CD1-CG1 4.46Å; I411-I414 HydrophobicContact CG2-CD1 4.42Å; I411-I414 HydrophobicContact CG2-CG1 3.61Å; I414-T416 HydrophobicContact CG2-CG2 4.3Å; I414-T423 CarbonylContact O-C 3.57Å; I414-T423 WeakPolarHBondContact O-CA 3.18Å; I414-M424 HydrophobicContact CB-CB 4.45Å; I414-M424 HydrophobicContact CB-CE 3.97Å; I414-M424 HydrophobicContact CG2-CE 3.78Å; I414-M424 PolarHBondContact N-O 3.25Å; I414-M424 PolarHBondContact O-N 3.3Å; I414-L426 HydrophobicContact CD1-CD1 3.76Å; I414-L426 HydrophobicContact CG1-CD1 4.24Å
415S95.8Very high94Very high4 Ų432.3 Ų32.33%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-109.3126.1174.9163.40000110.6K19 L330 K332 G417 E422K19-S415 PolarHBondContact NZ-OG 3.31Å; L330-S415 PolarHBondContact O-N 3.32Å; K332-S415 PolarHBondContact N-O 2.85Å; S415-G417 PolarHBondContact OG-O 3.21Å; S415-E422 WeakPolarHBondContact CA-O 3.29Å
416T95.4Very high93.8Very high0 Ų030.5 Ų30.50%019%0.187CC..  trans-113.315.7-17547.70000113.2D334 T383 F384 G385 V386 L392 I414 E422 M424D334-T416 WeakPolarHBondContact CB-O 3.36Å; D334-T416 VanDerWaalsContact OD1-C 3.32Å; T383-T416 VanDerWaalsContact O-CB 3.23Å; T383-T416 WeakPolarHBondContact O-CB 3.46Å; T383-T416 WeakPolarHBondContact O-CG2 3.3Å; F384-T416 VanDerWaalsContact CA-O 3.28Å; F384-T416 WeakPolarHBondContact CA-O 3.35Å; G385-T416 PolarHBondContact N-O 3.27Å; V386-T416 HydrophobicContact CB-CG2 4.47Å; V386-T416 PolarHBondContact O-OG1 3.16Å; L392-T416 HydrophobicContact CD2-CG2 4.18Å; I414-T416 HydrophobicContact CG2-CG2 4.3Å; T416-E422 PolarHBondContact N-O 3.28Å; T416-E422 PolarHBondContact OG1-O 2.94Å; T416-M424 HydrophobicContact CG2-CE 3.5Å
417G91.3Very high93.7Very high6 Ų634.3 Ų34.36%0.06220%0.2CC..SBendtrans176-178175.300000111.9K19 D334 S415 E422K19-G417 PolarHBondContact NZ-O 3.19Å; D334-G417 PolarHBondContact OD1-N 3.36Å; S415-G417 PolarHBondContact OG-O 3.21Å; G417-E422 VanDerWaalsContact C-OE2 3.23Å; G417-E422 VanDerWaalsContact CA-OE2 3.23Å; G417-E422 WeakPolarHBondContact CA-OE2 3.28Å
418P85Confident93.5Very high87 Ų8735.4 Ų35.457%0.56521%0.205SC*.SBendtrans-78.3-22.7-178.731.1-35.7000114.2E422P418-E422 VanDerWaalsContact CD-OE2 3.23Å; P418-E422 WeakPolarHBondContact CD-OE2 3.45Å; P418-E422 VanDerWaalsContact N-OE2 3.17Å
419D83.8Confident93.4Very high48 Ų4832.2 Ų32.226%0.25717%0.172SC..SBendtrans-77.9147-176.3-172.6-83.6000111.4K19 T421 E422K19-D419 WeakPolarHBondContact CE-O 3.46Å; K19-D419 PolarHBondContact NZ-O 2.98Å; D419-T421 PolarHBondContact O-N 3.32Å; D419-T421 WeakPolarHBondContact OD1-CB 3.41Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.42Å; D419-T421 PolarHBondContact OD1-N 3Å; D419-T421 PolarHBondContact OD1-OG1 3.38Å; D419-E422 HydrophobicContact CB-CG 3.98Å; D419-E422 WeakPolarHBondContact CB-OE2 3.39Å; D419-E422 PolarHBondContact N-OE2 3.37Å; D419-E422 WeakPolarHBondContact O-CB 3.47Å; D419-E422 PolarHBondContact O-N 3.24Å
420R82.4Confident93.2Very high55 Ų5531.8 Ų31.821%0.20817%0.17CC..THydrogen-bonded Turntrans-50.9-43.2177.7-174.2-177.8-172.2-140.2-6.9112.2D22 L23 E26 R62 E422 T423D22-R420 WeakPolarHBondContact OD2-CD 3.4Å; D22-R420 IonicContact OD2-NE 2.9Å; L23-R420 HydrophobicContact CB-CG 4.49Å; L23-R420 HydrophobicContact CD1-CG 3.78Å; L23-R420 PolarHBondContact O-NH2 3.18Å; E26-R420 IonicContact OE2-CZ 2.77Å; E26-R420 VanDerWaalsContact OE2-CZ 3.22Å; E26-R420 IonicContact OE2-NH1 3.83Å; E26-R420 PolarHBondContact OE2-NH1 3.46Å; E26-R420 IonicContact OE2-NH2 3.12Å; E26-R420 PolarHBondContact OE2-NH2 2.79Å; R62-R420 VanDerWaalsContact NH2-NE 3.13Å; R420-E422 PolarHBondContact O-N 3.07Å; R420-T423 PolarHBondContact O-OG1 2.91Å
421T86.1Confident92.9Very high77 Ų7734 Ų3447%0.47218%0.179SC..THydrogen-bonded Turntrans-73.9-11.9-17668.70000113.7K387 D419 T423K387-T421 WeakPolarHBondContact CD-O 3.23Å; K387-T421 WeakPolarHBondContact CE-O 3.31Å; K387-T421 PolarHBondContact NZ-OG1 3.24Å; D419-T421 PolarHBondContact O-N 3.32Å; D419-T421 WeakPolarHBondContact OD1-CB 3.41Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.42Å; D419-T421 PolarHBondContact OD1-N 3Å; D419-T421 PolarHBondContact OD1-OG1 3.38Å; T421-T423 PolarHBondContact O-N 3.25Å; T421-T423 VanDerWaalsContact O-N 3.16Å
422E89.1Confident92.2Very high23 Ų2336.5 Ų36.511%0.10720%0.2CC..SBendtrans-89.150.9175.3-58.6172.2141.600109.7K19 F384 S415 T416 G417 P418 D419 R420K19-E422 PolarHBondContact NZ-O 3.27Å; F384-E422 WeakPolarHBondContact CE1-OE1 3.3Å; F384-E422 WeakPolarHBondContact CZ-OE1 3.29Å; S415-E422 WeakPolarHBondContact CA-O 3.29Å; T416-E422 PolarHBondContact N-O 3.28Å; T416-E422 PolarHBondContact OG1-O 2.94Å; G417-E422 VanDerWaalsContact C-OE2 3.23Å; G417-E422 VanDerWaalsContact CA-OE2 3.23Å; G417-E422 WeakPolarHBondContact CA-OE2 3.28Å; P418-E422 VanDerWaalsContact CD-OE2 3.23Å; P418-E422 WeakPolarHBondContact CD-OE2 3.45Å; P418-E422 VanDerWaalsContact N-OE2 3.17Å; D419-E422 HydrophobicContact CB-CG 3.98Å; D419-E422 WeakPolarHBondContact CB-OE2 3.39Å; D419-E422 PolarHBondContact N-OE2 3.37Å; D419-E422 WeakPolarHBondContact O-CB 3.47Å; D419-E422 PolarHBondContact O-N 3.24Å; R420-E422 PolarHBondContact O-N 3.07Å
423T92.6Very high91.9Very high18 Ų1837.8 Ų37.811%0.1121%0.207CC..EExtended strand (participates in β ladder)trans-143.2131.4-178.6-39.70000110.2K19 I20 L23 I413 I414 R420 T421K19-T423 WeakPolarHBondContact CE-OG1 3.31Å; K19-T423 PolarHBondContact NZ-OG1 3.06Å; K19-T423 VanDerWaalsContact NZ-OG1 3.07Å; I20-T423 HydrophobicContact CD1-CG2 4.29Å; L23-T423 HydrophobicContact CD2-CG2 3.52Å; I413-T423 HydrophobicContact CG2-CG2 3.4Å; I413-T423 VanDerWaalsContact CG2-CG2 3.4Å; I414-T423 CarbonylContact O-C 3.57Å; I414-T423 WeakPolarHBondContact O-CA 3.18Å; R420-T423 PolarHBondContact O-OG1 2.91Å; T421-T423 PolarHBondContact O-N 3.25Å; T421-T423 VanDerWaalsContact O-N 3.16Å
424M94.9Very high91.6Very high8 Ų839.8 Ų39.84%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-103.9116.3174.2-70166.7-83.600108.9V386 K387 R389 L392 I413 I414 T416 L426V386-M424 HydrophobicContact CG1-CE 4.47Å; V386-M424 HydrophobicContact CG1-SD 4.46Å; K387-M424 VanDerWaalsContact C-CG 3.42Å; K387-M424 WeakPolarHBondContact O-CG 3.16Å; R389-M424 PolarHBondContact N-SD 3.37Å; R389-M424 VanDerWaalsContact N-SD 3.44Å; L392-M424 HydrophobicContact CD1-CE 4.11Å; L392-M424 HydrophobicContact CD1-SD 4.5Å; L392-M424 HydrophobicContact CD2-CE 4.3Å; L392-M424 HydrophobicContact CG-CE 4.34Å; I413-M424 CarbonylContact C-O 3.55Å; I413-M424 VanDerWaalsContact CA-O 3.31Å; I413-M424 WeakPolarHBondContact CA-O 3.44Å; I414-M424 HydrophobicContact CB-CB 4.45Å; I414-M424 HydrophobicContact CB-CE 3.97Å; I414-M424 HydrophobicContact CG2-CE 3.78Å; I414-M424 PolarHBondContact N-O 3.25Å; I414-M424 PolarHBondContact O-N 3.3Å; T416-M424 HydrophobicContact CG2-CE 3.5Å; M424-L426 HydrophobicContact CB-CD2 4.49Å
425I94.9Very high91.3Very high79 Ų7942 Ų4241%0.40523%0.23SC..EExtended strand (participates in β ladder)trans-91.8106170.2-57.4176000107.1L23 D428L23-I425 HydrophobicContact CD2-CD1 4.03Å; L23-I425 HydrophobicContact CD2-CG1 4.15Å; L23-I425 HydrophobicContact CG-CD1 4.32Å; I425-D428 HydrophobicContact CG2-CB 4.25Å
426L95.6Very high91Very high66 Ų6644.2 Ų44.235%0.34624%0.241SC..SBendtrans-83.1-33.6177.3-54.5176.1000110.8R389 I411 D412 I414 M424R389-L426 HydrophobicContact CB-CD2 4.12Å; R389-L426 VanDerWaalsContact NH1-CD1 3.31Å; I411-L426 VanDerWaalsContact O-CD1 3.3Å; I411-L426 WeakPolarHBondContact O-CD1 3.46Å; D412-L426 WeakPolarHBondContact O-CA 3.35Å; D412-L426 VanDerWaalsContact O-CB 3.31Å; D412-L426 WeakPolarHBondContact O-CB 3.24Å; D412-L426 PolarHBondContact O-N 3.44Å; I414-L426 HydrophobicContact CD1-CD1 3.76Å; I414-L426 HydrophobicContact CG1-CD1 4.24Å; M424-L426 HydrophobicContact CB-CD2 4.49Å
427R95.2Very high90.8Very high94 Ų9447 Ų4736%0.35526%0.257SS..SBendtrans-146.1126.8171.7177.8164.3172.8-104.912.4109.4D412 P429 A432D412-R427 HydrophobicContact CB-CB 4.1Å; D412-R427 PolarHBondContact O-N 2.94Å; D412-R427 VanDerWaalsContact O-N 3.13Å; D412-R427 IonicContact OD2-NH1 3.44Å; D412-R427 PolarHBondContact OD2-NH1 2.71Å; R427-P429 WeakPolarHBondContact O-CD 3.3Å; R427-A432 VanDerWaalsContact CZ-CA 3.47Å; R427-A432 PolarHBondContact NH2-OXT 3.45Å
428D93.8Very high90.7Very high34 Ų3449.7 Ų49.718%0.18227%0.269CS..  trans-74.5121.3178.3-171.2-36.4000109.6R27 I425 F430 D431 A432R27-D428 WeakPolarHBondContact CD-OD2 3.41Å; R27-D428 IonicContact CZ-OD2 3.66Å; R27-D428 IonicContact NH1-OD1 2.75Å; R27-D428 IonicContact NH1-OD2 3.17Å; R27-D428 PolarHBondContact NH1-OD2 3.2Å; I425-D428 HydrophobicContact CG2-CB 4.25Å; D428-F430 PolarHBondContact O-N 2.82Å; D428-F430 WeakPolarHBondContact OD1-CB 3.26Å; D428-F430 PolarHBondContact OD1-N 2.55Å; D428-D431 HydrophobicContact CB-CB 4.46Å; D428-D431 PolarHBondContact O-N 3.31Å; D428-D431 VanDerWaalsContact O-N 3.08Å; D428-A432 PolarHBondContact O-N 2.74Å
429P96Very high91.1Very high0 Ų047.1 Ų47.10%025%0.248CC..THydrogen-bonded Turntrans-58-26.7179.4-27.136.8000115N3 V5 L24 Y262 L264 I413 R427 D431 A432N3-P429 PolarHBondContact ND2-O 3Å; V5-P429 HydrophobicContact CB-CB 4.48Å; V5-P429 HydrophobicContact CG1-CB 3.84Å; V5-P429 HydrophobicContact CG2-CB 3.74Å; L24-P429 HydrophobicContact CD1-CG 4.43Å; L24-P429 HydrophobicContact CD2-CG 4.4Å; Y262-P429 HydrophobicContact CD1-CB 3.74Å; Y262-P429 HydrophobicContact CE1-CB 3.8Å; Y262-P429 HydrophobicContact CE1-CG 4.2Å; Y262-P429 HydrophobicContact CG-CB 4.17Å; L264-P429 HydrophobicContact CD1-CG 4.35Å; L264-P429 HydrophobicContact CD2-CG 4.24Å; I413-P429 HydrophobicContact CD1-CG 4.13Å; R427-P429 WeakPolarHBondContact O-CD 3.3Å; P429-D431 VanDerWaalsContact C-N 3.33Å; P429-A432 WeakPolarHBondContact O-CB 3.41Å
430F94.4Very high91.7Very high1 Ų147 Ų470%0.00425%0.248CC..THydrogen-bonded Turntrans-73.8-25.2177.9-71.9-73.8000112.8G2 N3 V5 L24 R27 A28 F218 M220 D428G2-F430 CarbonylContact C-O 3.56Å; G2-F430 WeakPolarHBondContact CA-O 3.24Å; N3-F430 PolarHBondContact N-O 2.89Å; N3-F430 WeakPolarHBondContact O-CD1 3.43Å; V5-F430 HydrophobicContact CB-CE1 4.11Å; V5-F430 HydrophobicContact CB-CZ 4.21Å; V5-F430 HydrophobicContact CG2-CD1 3.6Å; V5-F430 HydrophobicContact CG2-CD2 4.26Å; V5-F430 HydrophobicContact CG2-CE1 3.57Å; V5-F430 HydrophobicContact CG2-CE2 4.26Å; V5-F430 HydrophobicContact CG2-CG 3.95Å; V5-F430 HydrophobicContact CG2-CZ 3.92Å; L24-F430 HydrophobicContact CB-CE2 4.21Å; R27-F430 HydrophobicContact CB-CD2 4.14Å; R27-F430 HydrophobicContact CB-CE2 4.24Å; A28-F430 HydrophobicContact CB-CZ 4.17Å; F218-F430 HydrophobicContact CB-CD1 3.83Å; F218-F430 HydrophobicContact CB-CE1 3.65Å; F218-F430 HydrophobicContact CB-CZ 4.46Å; F218-F430 HydrophobicContact CD1-CB 4.43Å; F218-F430 AromaticContact CD1-CD1 3.52Å; F218-F430 HydrophobicContact CD1-CD1 3.52Å; F218-F430 HydrophobicContact CD1-CE1 4.2Å; F218-F430 HydrophobicContact CD1-CG 4.32Å; F218-F430 HydrophobicContact CD2-CD1 4.48Å; F218-F430 HydrophobicContact CE1-CB 4.33Å; F218-F430 HydrophobicContact CE1-CD1 4.22Å; F218-F430 AromaticContact CG-CD1 3.69Å; F218-F430 HydrophobicContact CG-CD1 3.69Å; F218-F430 HydrophobicContact CG-CE1 4.06Å; F218-F430 HydrophobicContact CG-CG 4.41Å; M220-F430 HydrophobicContact CB-CZ 4.35Å; D428-F430 PolarHBondContact O-N 2.82Å; D428-F430 WeakPolarHBondContact OD1-CB 3.26Å; D428-F430 PolarHBondContact OD1-N 2.55Å
431D92.6Very high92.5Very high102 Ų10246.3 Ų46.355%0.54525%0.251SS..THydrogen-bonded Turntrans-102-4.7-178.6-59.4-31.2000113.3R27 D428 P429R27-D431 IonicContact CZ-OD1 3.75Å; R27-D431 IonicContact CZ-OD2 2.75Å; R27-D431 IonicContact NH1-OD1 2.94Å; R27-D431 PolarHBondContact NH1-OD1 3.49Å; R27-D431 VanDerWaalsContact NH1-OD1 3.12Å; R27-D431 IonicContact NH1-OD2 3.96Å; R27-D431 PolarHBondContact NH1-OD2 3.44Å; R27-D431 IonicContact NH2-OD1 2.98Å; R27-D431 PolarHBondContact NH2-OD1 2.88Å; R27-D431 IonicContact NH2-OD2 3.68Å; D428-D431 HydrophobicContact CB-CB 4.46Å; D428-D431 PolarHBondContact O-N 3.31Å; D428-D431 VanDerWaalsContact O-N 3.08Å; P429-D431 VanDerWaalsContact C-N 3.33Å
432A84.3Confident93Very high54 Ų5443.5 Ų43.545%0.44623%0.231SC..  trans-57.10-17400000114.5N3 Y262 R427 D428 P429N3-A432 PolarHBondContact ND2-O 3.34Å; Y262-A432 HydrophobicContact CD2-CB 3.37Å; Y262-A432 HydrophobicContact CE2-CB 3.44Å; Y262-A432 VanDerWaalsContact CE2-CB 3.44Å; Y262-A432 HydrophobicContact CG-CB 4.44Å; R427-A432 VanDerWaalsContact CZ-CA 3.47Å; R427-A432 PolarHBondContact NH2-OXT 3.45Å; D428-A432 PolarHBondContact O-N 2.74Å; P429-A432 WeakPolarHBondContact O-CB 3.41Å

Retrieved 432 of 432 residues in 175.4 ms (Link to these results)

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